Isotopically Labeled Compounds

Chemicals to which isotopes have been attached in order to label specific atoms. Isotopically labeled compounds are commonly used in synthetic chemistry, characterization techniques such as NMR, and biology.

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1 – 15 of 3,387 results

Estrone-d7, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Pricing and Availability
Specifications

Molecular Weight (g/mol)	277.40921
InChI Formula	InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i2D2,3D,7D2,10D,14D
Chemical Name or Material	Estrone-d7
SMILES	O=C1C([2H])([2H])C[C@@]2([H])[C@]3([H])CC([2H])([2H])C4=C([2H])C(O)=C([2H])C=C4[C@@]3([2H])CC[C@]12C
Synonym	3-Hydroxyestra-1,3,5(10)-trien-17-one-d7,(+)-Estrone-d7,1,3,5(10)-Estratrien-3-ol-17-one-d7,3-Hydroxy-17-keto-estra-1,3,5-triene-d7,Aquacrine-d7,Crinovaryl-d7,Cristallovar-d7,Crystogen-d7,WAY 164397-d7,Wynestron-d7,Ethinyl Estradiol Impurity C (EP)-d7
IUPAC Name	(8R,9S,13S,14S)-2,4,6,6,9,16,16-heptadeuterio-3-hydroxy-13-methyl-7,8,11,12,14,15-hexahydrocyclopenta[a]phenanthren-17-one
Molecular Formula	C18 H15 D7 O2
Formula Weight	277.2059

Erythromycylamine-d3, TRC

Molecular Formula: C37H67D3N2O12 Molecular Weight (g/mol): 737.98 Synonym: (9S)-9-Amino-9-deoxoerythromycin-d3,(9S)-9-Deoxy-9-aminoerythromycin A-d3,(9S)-Erythromycylamine A-d3,9(S)-Erythromycylamine-d3,BRL 42852ER-d3,LY 024410-d3 SMILES: C[C@@]([C@H](O)[C@@H](C)[C@@H](N)[C@H](C)C[C@](O)(C)[C@H](O[C@H]1[C@H](O)[C@@H](N(C)C([2H])([2H])[2H])C[C@@H](C)O1)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@](C)(OC)C2)[C@H]3C)(O)[C@@H](CC)OC3=O

Pricing and Availability
Specifications

Molecular Weight (g/mol)	737.98
SMILES	C[C@@]([C@H](O)[C@@H](C)[C@@H](N)[C@H](C)C[C@](O)(C)[C@H](O[C@H]1[C@H](O)[C@@H](N(C)C([2H])([2H])[2H])C[C@@H](C)O1)[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@](C)(OC)C2)[C@H]3C)(O)[C@@H](CC)OC3=O
Synonym	(9S)-9-Amino-9-deoxoerythromycin-d3,(9S)-9-Deoxy-9-aminoerythromycin A-d3,(9S)-Erythromycylamine A-d3,9(S)-Erythromycylamine-d3,BRL 42852ER-d3,LY 024410-d3
Molecular Formula	C37H67D3N2O12

Phenserine-d5, TRC

Molecular Formula: C20H18D5N3O2 Molecular Weight (g/mol): 342.45 Synonym: (-)-Eseroline Phenylcarbamate-d5,(-)-N-Phenylcarbamoyleseroline-d5,(-)-Phenserine-d5,(3aS-cis)-1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethyl-pyrrolo[2,3-b]indol-5-ol Phenylcarbamate-d5 (Ester),(3aS,8aR)-1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethyl-pyrrolo[2,3-b]indol-5-ol-d5 (N-Phenylcarbamate) SMILES: O=C(OC1=CC([C@@](CCN2C)(C)[C@@]2([H])N3C)=C3C=C1)NC4=C([2H])C([2H])=C([2H])C([2H])=C4[2H]

Pricing and Availability
Specifications

Molecular Weight (g/mol)	342.45
SMILES	O=C(OC1=CC([C@@](CCN2C)(C)[C@@]2([H])N3C)=C3C=C1)NC4=C([2H])C([2H])=C([2H])C([2H])=C4[2H]
Synonym	(-)-Eseroline Phenylcarbamate-d5,(-)-N-Phenylcarbamoyleseroline-d5,(-)-Phenserine-d5,(3aS-cis)-1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethyl-pyrrolo[2,3-b]indol-5-ol Phenylcarbamate-d5 (Ester),(3aS,8aR)-1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethyl-pyrrolo[2,3-b]indol-5-ol-d5 (N-Phenylcarbamate)
Molecular Formula	C20H18D5N3O2

Saflufenacil-d7, TRC

CAS: 2469260-39-5 Molecular Formula: C17H10D7ClF4N4O5S Molecular Weight (g/mol): 507.9 Synonym: 2-Chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-N-[[methyl(1-methylethyl)amino]sulfonyl]benzamide-d7,2-Chloro-4-fluoro-N-[isopropyl(methyl)sulfamoyl]-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide-d7,2-Chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-N-[(isopropyl)methylsulfamoyl]benzamide-d7,2-Chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluoro-N-[[N-methyl-N-(1-methylethyl)amino]sulfonyl]benzamide-d7,Benmihuangcaoan-d7,Eragon-d7,Kixor-d7,N'-[2-Chloro-4-fluoro-5-[1,2,3,6-tetrahydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoyl]-N-isopropyl-N-methylsulfamide-d7,Sharpen-d7,Treevix-d7 IUPAC Name: 2-chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl)-N-(N-methyl-N-(propan-2-yl-d7)sulfamoyl)benzamide SMILES: O=C(NS(=O)(N(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C)=O)C1=CC(N(C(N(C)C(C(F)(F)F)=C2)=O)C2=O)=C(F)C=C1Cl

Pricing and Availability
Specifications

CAS	2469260-39-5
Molecular Weight (g/mol)	507.9
SMILES	O=C(NS(=O)(N(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C)=O)C1=CC(N(C(N(C)C(C(F)(F)F)=C2)=O)C2=O)=C(F)C=C1Cl
Synonym	2-Chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-N-[[methyl(1-methylethyl)amino]sulfonyl]benzamide-d7,2-Chloro-4-fluoro-N-[isopropyl(methyl)sulfamoyl]-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzamide-d7,2-Chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluoro-N-[(isopropyl)methylsulfamoyl]benzamide-d7,2-Chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-trifluoromethyl-1(2H)-pyrimidinyl]-4-fluoro-N-[[N-methyl-N-(1-methylethyl)amino]sulfonyl]benzamide-d7,Benmihuangcaoan-d7,Eragon-d7,Kixor-d7,N'-[2-Chloro-4-fluoro-5-[1,2,3,6-tetrahydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoyl]-N-isopropyl-N-methylsulfamide-d7,Sharpen-d7,Treevix-d7
IUPAC Name	2-chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl)-N-(N-methyl-N-(propan-2-yl-d7)sulfamoyl)benzamide
Molecular Formula	C17H10D7ClF4N4O5S

Paclitaxel-13C6, TRC

Molecular Formula: C4113C6H51NO14 Molecular Weight (g/mol): 859.86 Synonym: Abraxane-13C6,Genaxol-13C6,Genetaxyl-13C6,OncoGel-13C6,Onxal-13C6,Pacliex-13C6,(-)-Paclitaxel-13C6,Taxol-13C6,Yewtaxan-13C6,NSC 125973-13C6 SMILES: O=C([C@@H]1OC(C)=O)[C@@]2(C)[C@H]([C@@](CO3)(OC(C)=O)[C@H]3C[C@@H]2O)[C@H](OC([13C]4=[13C]([H])[13C]([H])=[13C]([H])[13C]([H])=[13C]4[H])=O)[C@]5(O)C[C@H](OC([C@@H](O)[C@H](NC(C6=CC=CC=C6)=O)C7=CC=CC=C7)=O)C(C)=C1C5(C)C

Pricing and Availability
Specifications

Molecular Weight (g/mol)	859.86
SMILES	O=C([C@@H]1OC(C)=O)[C@@]2(C)[C@H]([C@@](CO3)(OC(C)=O)[C@H]3C[C@@H]2O)[C@H](OC([13C]4=[13C]([H])[13C]([H])=[13C]([H])[13C]([H])=[13C]4[H])=O)[C@]5(O)C[C@H](OC([C@@H](O)[C@H](NC(C6=CC=CC=C6)=O)C7=CC=CC=C7)=O)C(C)=C1C5(C)C
Synonym	Abraxane-13C6,Genaxol-13C6,Genetaxyl-13C6,OncoGel-13C6,Onxal-13C6,Pacliex-13C6,(-)-Paclitaxel-13C6,Taxol-13C6,Yewtaxan-13C6,NSC 125973-13C6
Molecular Formula	C4113C6H51NO14

Flupirtine-d5, TRC

Molecular Formula: C15H12D5FN4O2 Molecular Weight (g/mol): 309.35 Synonym: N-[2-amino-6-[[(4-fluorophenyl)methyl]amino]-3-pyridinyl]carbamic Acid Ethyl Ester,D 9998,Katadolon,Trancopal Dolo SMILES: O=C(OC([2H])([2H])C([2H])([2H])[2H])NC(C(N)=N1)=CC=C1NCC2=CC=C(F)C=C2

Pricing and Availability
Specifications

Molecular Weight (g/mol)	309.35
SMILES	O=C(OC([2H])([2H])C([2H])([2H])[2H])NC(C(N)=N1)=CC=C1NCC2=CC=C(F)C=C2
Synonym	N-[2-amino-6-[[(4-fluorophenyl)methyl]amino]-3-pyridinyl]carbamic Acid Ethyl Ester,D 9998,Katadolon,Trancopal Dolo
Molecular Formula	C15H12D5FN4O2

Ibudilast-d7, TRC

Molecular Formula: C14H11D7N2O Molecular Weight (g/mol): 237.35 Synonym: 2-Methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-1-propanone-d7,1-(2-Isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one-d7,2-Isopropyl-d7-3-isobutyrylpyrazolo[1,5-a]pyridine,3-Isobutyryl-d7-2-isopropylpyrazolo[1,5-a]pyridine,AV 411-d7,KC 404-d7,Ketas-d7 SMILES: O=C(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C1=C2C=CC=CN2N=C1C(C)C

Pricing and Availability
Specifications

Molecular Weight (g/mol)	237.35
SMILES	O=C(C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C1=C2C=CC=CN2N=C1C(C)C
Synonym	2-Methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]-1-propanone-d7,1-(2-Isopropylpyrazolo[1,5-a]pyridin-3-yl)-2-methylpropan-1-one-d7,2-Isopropyl-d7-3-isobutyrylpyrazolo[1,5-a]pyridine,3-Isobutyryl-d7-2-isopropylpyrazolo[1,5-a]pyridine,AV 411-d7,KC 404-d7,Ketas-d7
Molecular Formula	C14H11D7N2O

Secnidazole-d3, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Pricing and Availability
Specifications

Molecular Weight (g/mol)	188.2
InChI Formula	InChI=1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3/i2D3
Chemical Name or Material	Secnidazole-d3
SMILES	CC(O)CN1C(C([2H])([2H])[2H])=NC=C1[N+]([O-])=O
Synonym	α,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol-d3,1-(2-Methyl-5-nitroimidazol-1-yl) -2-propanol-d3,Flagenty-d3,PM 185184-d3,RP 14539--d3
Recommended Storage	+4°C
Molecular Formula	C7H8D3N3O3

Docetaxel-d5, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Pricing and Availability
Specifications

Percent Purity	>95
Molecular Weight (g/mol)	812.91
InChI Formula	InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1/i10D,13D,14D,17D,18D
Chemical Name or Material	Docetaxel-d5
SMILES	[2H]c1c([2H])c([2H])c(C(=O)O[C@H]2[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C5=C(C)[C@H](C[C@]2(O)C5(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)OC(=O)C)c([2H])c1[2H]
Synonym	(αR,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoic Acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy-d5)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl Ester,Docetaxol-d5,N-Debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol-d5,RP 56976-d5,Taxotere-d5
Purity Grade Notes	HPLC
Recommended Storage	-20°C
Molecular Formula	C43 D5 H48 N O14
Formula Weight	812.378

Olutasidenib-d3, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Pricing and Availability
Specifications

Molecular Weight (g/mol)	357.81
InChI Formula	InChI=1S/C18H15ClN4O2/c1-10(21-16-6-4-13(9-20)23(2)18(16)25)14-8-11-7-12(19)3-5-15(11)22-17(14)24/h3-8,10,21H,1-2H3,(H,22,24)/t10-/m0/s1/i2D3
Chemical Name or Material	Olutasidenib-d3
SMILES	ClC1=CC=C(NC(C([C@@H](NC2=CC=C(C#N)N(C([2H])([2H])[2H])C2=O)C)=C3)=O)C3=C1
Synonym	Olutasidenib Impurity
Recommended Storage	-20°C
IUPAC Name	(S)-5-((1-(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)amino)-1-(methyl-d3)-6-oxo-1,6-dihydropyridine-2-carbonitrile
Molecular Formula	C18H12D3ClN4O2
Formula Weight	357.11

Sulfaphenazole-d4, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Pricing and Availability
Specifications

Molecular Weight (g/mol)	318.39
InChI Formula	InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2
Chemical Name or Material	Sulfaphenazole-d4
SMILES	NC(C([2H])=C1[2H])=C([2H])C([2H])=C1S(NC2=CC=NN2C3=CC=CC=C3)(=O)=O
Synonym	4-Amino-N-(1-phenyl-1H-pyrazol-5-yl)benzenesulfonamide-d4,N1-(1-Phenylpyrazol-5-yl)sulfanilamidopyrazole-d4,2-Phenyl-3-sulfanilamidopyrazole-d4,3-(p-Aminobenzenesulfonamido)-2-phenylpyrazole-d4,5-Sulfanilamido-1-phenylpyrazole-d4,Depocid-d4,Depotsulfonamide-d4,Eftolon-d4,Firmazolo-d4,Inamil-d4,Isarol-d4,Merian-d4,Microtan Pirazolo-d4,N1-(1-Phenylpyrazol-5-yl)sulfanilamide-d4,Orisul-d4,Orisulf-d4,Paidazolo-d4,Plisulfan-d4,Raziosulfa-d4,Sulfabid-d4,Sulfaphenazol-d4,Sulfaphenazon-d4,Sulfaphenylpyrazole-d4
Recommended Storage	-20°C
Molecular Formula	C15H10D4N4O2S

Betaine-13C3, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Pricing and Availability
Specifications

Percent Purity	>95
Molecular Weight (g/mol)	120.13
InChI Formula	InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/i1+1,2+1,3+1
Chemical Name or Material	Betaine-13C3
SMILES	[O-]C(C[N+]([13CH3])([13CH3])[13CH3])=O
Purity Grade Notes	HPLC
Recommended Storage	-20°C
IUPAC Name	2-(tri(methyl-13C)ammonio)acetate
Molecular Formula	C213C3H11NO2
Formula Weight	120.09

Advantame-D3, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Pricing and Availability
Specifications

Molecular Weight (g/mol)	461.523
InChI Formula	InChI=1S/C24H30N2O7/c1-32-21-11-10-17(14-20(21)27)9-6-12-25-18(15-22(28)29)23(30)26-19(24(31)33-2)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,14,18-19,25,27H,6,9,12-13,15H2,1-2H3,(H,26,30)(H,28,29)/t18-,19-/m0/s1/i1D3
Chemical Name or Material	Advantame-D3
SMILES	[2H]C([2H])([2H])Oc1ccc(CCCN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)cc1O
Synonym	N-[3-(3-Hydroxy-4-methoxyphenyl)propyl]-L-alpha-aspartyl-L-phenylalanine 2-Methyl Ester-D3 (1:1),N-[3-(3-Hydroxy-4-methoxyphenyl)propyl]-L-alpha-aspartyl-L-phenylalanine 2-Methyl Ester-D3
Recommended Storage	+4°C
IUPAC Name	(3S)-3-[3-[3-hydroxy-4-(trideuteriomethoxy)phenyl]propylamino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Molecular Formula	C24 D3 H27 N2 O7
Formula Weight	461.224

Cabotegravir-d3, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Pricing and Availability
Specifications

Percent Purity	>95
Molecular Weight (g/mol)	408.37
InChI Formula	InChI=1S/C19H17F2N3O5/c1-9-8-29-14-7-23-6-12(16(25)17(26)15(23)19(28)24(9)14)18(27)22-5-10-2-3-11(20)4-13(10)21/h2-4,6,9,14,26H,5,7-8H2,1H3,(H,22,27)/t9-,14+/m0/s1/i1D3
Chemical Name or Material	Cabotegravir-d3
SMILES	O=C(C1=CN(C2=C(O)C1=O)C[C@](OC[C@@H]3C([2H])([2H])[2H])([H])N3C2=O)NCC4=CC=C(F)C=C4F
Synonym	(3S,11aR)-N-[(2,4-difluorophenyl)methyl]-2,3,5,7,11,11a-hexahydro-6-hydroxy-3-methyl-5,7-dioxo-Oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamide-d3
Purity Grade Notes	HPLC
Recommended Storage	+4°C
IUPAC Name	(3R,6S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-8,11-dioxo-6-(trideuteriomethyl)-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
Molecular Formula	C19H14D3F2N3O5

Salsalate-d8, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Pricing and Availability
Specifications

Molecular Weight (g/mol)	266.28
InChI Formula	InChI=1S/C14H10O5/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17/h1-8,15H,(H,16,17)/i1D,2D,3D,4D,5D,6D,7D,8D
Chemical Name or Material	Salsalate-d8
SMILES	O=C(OC1=C(C(O)=O)C([2H])=C([2H])C([2H])=C1[2H])C2=C(O)C([2H])=C([2H])C([2H])=C2[2H]
Synonym	2-Hydroxybenzoic Acid 2-Carboxyphenyl Ester-d8,Salicylic Acid Salicylate-d8,2-Hydroxybenzoic Acid 2-Carboxyphenyl Ester-d8,Diacesal-d8,Diplosal-d8,Disalcid-d8,Disalgesic-d8,Disalicylic-d8 Acid,Disalyl-d8,Mono-Gesic-d8,NSC 49171-d8,Nobacid-d8,Salflex-d8,Salical-d8,Salicyl Salicylate-d8,Salicyloxysalicylic Acid-d8,Salicyloylsalicylic-d8 Acid,Salicylsalicylic-d8 Acid,Salina-d8,Salsalate-d8,Salysal-d8,Sasapirin-d8,Sasapyrine-d8,Sasapyrinum-d8,o-Salicylsalicylic-d8 Acid
Recommended Storage	+4°C
Molecular Formula	C14H2D8O5

Isotopically Labeled Compounds

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