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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

1-Methylcyclohexanecarboxylic Acid-d10, TRC

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Molecular Weight (g/mol) 152.257
InChI Formula InChI=1S/C8H14O2/c1-8(7(9)10)5-3-2-4-6-8/h2-6H2,1H3,(H,9,10)/i2D2,3D2,4D2,5D2,6D2
Chemical Name or Material 1-Methylcyclohexanecarboxylic Acid-d10
SMILES [2H]C1([2H])C([2H])([2H])C([2H])([2H])C(C)(C(=O)O)C([2H])([2H])C1([2H])[2H]
Synonym 1-Methyl-1-cyclohexanecarboxylic Acid-d10,1-Methylcyclohexanecarboxylic Acid-d10,1-Methylcyclohexylcarboxylic Acid-d10
IUPAC Name 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-methylcyclohexane-1-carboxylic acid
Molecular Formula C8 D10 H4 O2
Formula Weight 152.162
2

4-Hydroxycyclohexylcarboxylic Acid-d5, TRC

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Molecular Weight (g/mol) 149.199
InChI Formula InChI=1S/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/i3D2,4D2,6D
Chemical Name or Material 4-Hydroxycyclohexylcarboxylic Acid-d5
SMILES [2H]C1([2H])CC(CC([2H])([2H])C1([2H])O)C(=O)O
Synonym 4-Hydroxycyclohexane-1-carboxylic Acid-d5,4-Hydroxycyclohexanecarboxylic Acid-d5
Recommended Storage -20°C
IUPAC Name 3,3,4,5,5-pentadeuterio-4-hydroxycyclohexane-1-carboxylic acid
Molecular Formula C7 D5 H7 O3
Formula Weight 149.11
3

DL-2-Piperidine-d9-carboxylic Acid, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 790612-94-1
Molecular Weight (g/mol) 138.21
InChI Formula InChI=1 S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7 H,1-4H2,(H,8,9)/i1D2,2D2,3D2,4D2,5 D
Chemical Name or Material DL-Pipecolic Acid-d9
SMILES [2 H]C1([2 H])NC([2 H])(C(=O)O)C([2 H])([2 H])C([2 H])([2 H])C1([2 H])[2 H]
Synonym 2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic Acid,2-Piperidinecarboxylic Acid-d9,Pipecolic Acid-d9,(RS)-2-Piperidinecarboxylic Acid-d9,(±)-2-Piperidinecarboxylic Acid-d9,2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI),2-Piperidine-2,3,3,4,4,5,5,6,6-d9-carboxylic acid (9 CI)
Recommended Storage Room Temperature
IUPAC Name 2,3,3,4,4,5,5,6,6-nonadeuteriopiperidine-2-carboxylic acid
Molecular Formula C6 D9 H2 N O2
Formula Weight 138.1355 g/mol
4

N-Acetylaminomethylphosphoric Acid-d3 (Major), TRC

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Percent Purity >95
Molecular Weight (g/mol) 156.09
InChI Formula InChI=1S/C3H8NO4P/c1-3(5)4-2-9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)/i1D3
Chemical Name or Material N-Acetylaminomethylphosphoric Acid-d3
SMILES O=P(O)(O)CNC(C([2H])([2H])[2H])=O
Synonym P-[(acetylamino)methyl]-phosphonic Acid-d3,(Acetamidomethyl)-phosphonic Acid-d3,[(Acetylamino)methyl]-phosphonic Acid-d3
Purity Grade Notes HPLC
Recommended Storage +4°C
IUPAC Name [(2,2,2-trideuterioacetyl)amino]methylphosphonic acid
Molecular Formula C3H5D3NO4P
5

Paromomycin Deuterated Acetic Acid Salt, TRC

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Molecular Weight (g/mol) 615.63
InChI Formula InChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
Chemical Name or Material Paromomycin Deuterated Acetic Acid Salt
SMILES O[C@@H]1[C@H](O[C@H]2O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O[C@H]([C@@H](O)[C@H](N)C[C@@H]3N)[C@@H]3O[C@@H]4[C@H](N)[C@@H](O)[C@H](O)[C@@H](CO)O4
Synonym O-2,6-Diamino-2,6-dideoxy-β-L-idopyranosyl-(1→3)-O-β-D-ribofuranosyl-(1→5)-O-[2-amino-2-deoxy-α-D-glucopyranosyl-(1→4)]-2-deoxy-D-Streptamine Deuterated Acetic Acid Salt,O-2-Amino-2-deoxy-α-D-glucopyranosyl-(1→4)-O-[O-2,6-diamino-2,6-dideoxy-β-L-idopyranosyl-(1→3)-β-D-ribofuranosyl-(1→5)]-2-deoxy-D-streptamine Deuterated Acetic Acid Salt,1600 Antibiotic Deuterated Acetic Acid Salt,Aminosidin Deuterated Acetic Acid Salt,Aminosidine Deuterated Acetic Acid Salt,Aminoxidin Deuterated Acetic Acid Salt,FI 5853 Deuterated Acetic Acid Salt,Farmiglucin Deuterated Acetic Acid Salt,Farminosidin Deuterated Acetic Acid Salt,Gabbroral Deuterated Acetic Acid Salt,Humagel Deuterated Acetic Acid Salt,Humatin Deuterated Acetic Acid Salt,Humycin Deuterated Acetic Acid Salt,Paramicina Deuterated Acetic Acid Salt,Pargonyl Deuterated Acetic Acid Salt,Paricina Deuterated Acetic Acid Salt,Sinosid Deuterated Acetic Acid Salt
Recommended Storage -20°C
Molecular Formula C23H45N5O14•5(CH3COOH) for undeuterated
6

Picolinafen-d4 (4-fluorophenyl-d4), CDN

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Percent Purity 99 atom % D, min 98% Chemical Purity
Molecular Weight (g/mol) 380.33
InChI Formula InChI=1 S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11 H,(H,24,26)/i7D,8 D,9 D,10 D
Chemical Name or Material Picolinafen-d4
SMILES [2 H]c1c([2 H])c(NC(=O)c2cccc(Oc3cccc(c3)C(F)(F)F)n2)c([2 H])c([2 H])c1F
Synonym AC 900001-d4,N-(4-Fluorophenyl)-2-[(3-trifluoromethylphenyl)oxy]pyridine-6-carboxamide-d4,N-(4-Fluorophenyl)-6-[3-(trifluoromethyl)phenoxy]-2-pyridinecarboxamide-d4,Sniper-d4
Recommended Storage Room Temperature
IUPAC Name N-(2,3,5,6-tetradeuterio-4-fluoro-phenyl)-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
Molecular Formula C19D4H8F4N2O2
Formula Weight 380.109 g/mol
7

Furazolidone D4 100 μg/mL in Acetonitrile, Dr. Ehrenstorfer

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8

Fluticasone 17Beta-Carboxylic Acid Propionate-d3, TRC

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Molecular Weight (g/mol) 455.51
Chemical Name or Material Fluticasone 17beta-Carboxylic Acid Propionate-d3
SMILES F[C@]1([C@@H](O)C[C@@]2(C)[C@@]3([H])C[C@@H](C)C2(C(O)=O)OC(CC([2H])([2H])[2H])=O)[C@@]3([H])C[C@H](F)C4=CC(C=C[C@@]41C)=O
Synonym 6α,11β,16α,17α)-6,9-Difluoro-11-hydroxy-16-methyl-3-oxo-17-(1-oxopropoxy-d3)-androsta-1,4-diene-17-carboxylic Acid
Recommended Storage -20°C
Molecular Formula C24H27D3F2O6
9

Aripiprazole-D8 0.1 mg/ml in Acetonitrile, LoGiCal

LoGiCal's certified reference materials as neats, native solutions and stable isotope labelled solutions, with expert documentation and support. From forensic to clinical labs, choose LoGiCal for confidence, compliance, and analytical excellence.

10

Progesterone D9 100 μg/mL in Acetonitrile, Dr. Ehrenstorfer

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11

1-Methylcyclohexanecarboxylic Acid-d10 Methyl Ester, TRC

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Molecular Weight (g/mol) 166.284
InChI Formula InChI=1S/C9H16O2/c1-9(8(10)11-2)6-4-3-5-7-9/h3-7H2,1-2H3/i3D2,4D2,5D2,6D2,7D2
Chemical Name or Material 1-Methylcyclohexanecarboxylic Acid-d10 Methyl Ester
SMILES [2H]C1([2H])C([2H])([2H])C([2H])([2H])C(C)(C(=O)OC)C([2H])([2H])C1([2H])[2H]
Synonym Methyl 1-Methyl-1-cyclohexanecarboxylate-d10,Methyl 1-Methylcyclohexanecarboxylate-d10
IUPAC Name methyl 2,2,3,3,4,4,5,5,6,6-decadeuterio-1-methylcyclohexane-1-carboxylate
Molecular Formula C9 D10 H6 O2
Formula Weight 166.178
12

Flumequine 13C3 100 μg/mL in Acetonitrile, Dr. Ehrenstorfer

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14

(-)-(2S,3S)-Viridifloric Acid Acetonide-d7, TRC

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Molecular Weight (g/mol) 209.291
InChI Formula InChI=1S/C10H18O4/c1-6(2)10(8(11)12)7(3)13-9(4,5)14-10/h6-7H,1-5H3,(H,11,12)/t7-,10-/m0/s1/i1D3,2D3,6D
Chemical Name or Material (-)-(2S,3S)-Viridifloric Acid Acetonide-d7
SMILES [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[C@@]1(OC(C)(C)O[C@H]1C)C(=O)O
Synonym (4S-cis)- 2,2,5-trimethyl-4-(1-methylethyl)-1,3-dioxolane-4-carboxylic Acid-d7
IUPAC Name (4S,5S)-4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2,2,5-trimethyl-1,3-dioxolane-4-carboxylic acid
Molecular Formula C10 D7 H11 O4
Formula Weight 209.164
15

(±)-2-Bromopropionic-3,3,3-d3 Acid, CDN

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Percent Purity 98 atom % D, min 98% Chemical Purity
CAS 2708278-02-6
Molecular Weight (g/mol) 155.9931
InChI Formula InChI=1 S/C3H5BrO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/i1D3
Chemical Name or Material Bromopropionic-3,3,3-d3 Acid
SMILES [2 H]C([2 H])([2 H])C(Br)C(=O)O
Synonym 2-Bromopropanoic-3,3,3-d3 acid,2-Bromopropanoic acid-3,3,3-d3,2-Bromopropanoic Acid-3,3,3-D3,(±)-2-Bromopropionic-3,3,3-d3 Acid
Recommended Storage Room Temperature
IUPAC Name 2-bromo-3,3,3-trideuteriopropanoic acid
Molecular Formula C3 D3 H2 Br O2
Formula Weight 154.9661 g/mol