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Nitrogen mustard compounds

Nitrogen mustards are cytotoxic organic compounds with the chloroethylamine functional group, which consists of the following structure: Cl(CH2)2NR2, where R can be any organic group. They are nitrogen analogs of mustard gas.
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Keyword Search:
1 – 11 of 11 results
1

Sulclamide, TRC

CAS: 2455-92-7 Molecular Formula: C7H7ClN2O3S Molecular Weight (g/mol): 234.66 Synonym: 3-(Aminosulfonyl)-4-chlorobenzamide,3-Sulfamido-4-chlorobenzamide,3-Sulfamoyl-4-chlorobenzamide,3-Sulfamyl-4-chlorobenzamide,4-Chloro-3-sulfamoylbenzamide,SD 141-12,Sulclamid IUPAC Name: 4-chloro-3-sulfamoylbenzamide SMILES: NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N

CAS 2455-92-7
Molecular Weight (g/mol) 234.66
SMILES NC(=O)c1ccc(Cl)c(c1)S(=O)(=O)N
Synonym 3-(Aminosulfonyl)-4-chlorobenzamide,3-Sulfamido-4-chlorobenzamide,3-Sulfamoyl-4-chlorobenzamide,3-Sulfamyl-4-chlorobenzamide,4-Chloro-3-sulfamoylbenzamide,SD 141-12,Sulclamid
IUPAC Name 4-chloro-3-sulfamoylbenzamide
Molecular Formula C7H7ClN2O3S
2

Carboxyphosphamide, TRC

CAS: 22788-18-7 Molecular Formula: C7 H15 Cl2 N2 O4 P Molecular Weight (g/mol): 293.08 Synonym: 3-[[Amino[bis(2-chloroethyl)amino]phosphinyl]oxy]propanoic Acid,N,N-Bis(2-chloroethyl)phosphorodiamidate Hydracrylic Acid,Asta 5754,Carboxycyclophosphamide,NSC 145124; IUPAC Name: 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoic acid SMILES: NP(=O)(OCCC(=O)O)N(CCCl)CCCl

CAS 22788-18-7
Molecular Weight (g/mol) 293.08
SMILES NP(=O)(OCCC(=O)O)N(CCCl)CCCl
Synonym 3-[[Amino[bis(2-chloroethyl)amino]phosphinyl]oxy]propanoic Acid,N,N-Bis(2-chloroethyl)phosphorodiamidate Hydracrylic Acid,Asta 5754,Carboxycyclophosphamide,NSC 145124;
IUPAC Name 3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoic acid
Molecular Formula C7 H15 Cl2 N2 O4 P
3

meta-Chlorambucil, TRC

CAS: 134862-11-6 Molecular Formula: C14H19Cl2NO2 Molecular Weight (g/mol): 304.21 Synonym: 3-[Bis(2-chloroethyl)amino]benzenebutanoic Acid,Chlorambucil Impurity IUPAC Name: 4-[3-[bis(2-chloroethyl)amino]phenyl]butanoic acid SMILES: OC(=O)CCCc1cccc(c1)N(CCCl)CCCl

CAS 134862-11-6
Molecular Weight (g/mol) 304.21
SMILES OC(=O)CCCc1cccc(c1)N(CCCl)CCCl
Synonym 3-[Bis(2-chloroethyl)amino]benzenebutanoic Acid,Chlorambucil Impurity
IUPAC Name 4-[3-[bis(2-chloroethyl)amino]phenyl]butanoic acid
Molecular Formula C14H19Cl2NO2
4

Cyclophosphamide Monohydrate, TRC

CAS: 6055-19-2 Molecular Formula: C7 H15 Cl2 N2 O2 P . H2 O Molecular Weight (g/mol): 279.1 Synonym: 2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate (9CI),2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate (8CI),2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate,Cyclophosphamide hydrate,Cyclophosphamide monohydrate,Endoxan monohydrate IUPAC Name: N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ^{5}-oxazaphosphinan-2-amine;hydrate SMILES: O.ClCCN(CCCl)P1(=O)NCCCO1

CAS 6055-19-2
Molecular Weight (g/mol) 279.1
SMILES O.ClCCN(CCCl)P1(=O)NCCCO1
Synonym 2H-1,3,2-Oxazaphosphorin-2-amine, N,N-bis(2-chloroethyl)tetrahydro-, 2-oxide, monohydrate (9CI),2H-1,3,2-Oxazaphosphorine, 2-[bis(2-chloroethyl)amino]tetrahydro-, 2-oxide, monohydrate (8CI),2-[Bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorine-2-oxide monohydrate,Cyclophosphamide hydrate,Cyclophosphamide monohydrate,Endoxan monohydrate
IUPAC Name N,N-bis(2-chloroethyl)-2-oxo-1,3,2λ^{5}-oxazaphosphinan-2-amine;hydrate
Molecular Formula C7 H15 Cl2 N2 O2 P . H2 O
5

Mafosfamide Sodium Salt, TRC

CAS: 84211-05-2 Molecular Formula: C9H18Cl2N2NaO5PS2 Molecular Weight (g/mol): 423.24 Synonym: rel-2-[[(2R,4R)-2-[Bis(2-chloroethyl)amino]tetrahydro-2-oxido-2H-1,3,2-oxazaphosphorin-4-yl]thio]ethanesulfonic Acid Sodium,Mafosfamid Sodium,Z 7557,cis-Mafosfamide Sodium; IUPAC Name: sodium 2-(((2R,4R)-2-(bis(2-chloroethyl)amino)-2-oxido-1,3,2-oxazaphosphinan-4-yl)thio)ethane-1-sulfonate SMILES: ClCCN(P1(N[C@@H](CCO1)SCCS(=O)([O-])=O)=O)CCCl.[Na+]

CAS 84211-05-2
Molecular Weight (g/mol) 423.24
SMILES ClCCN(P1(N[C@@H](CCO1)SCCS(=O)([O-])=O)=O)CCCl.[Na+]
Synonym rel-2-[[(2R,4R)-2-[Bis(2-chloroethyl)amino]tetrahydro-2-oxido-2H-1,3,2-oxazaphosphorin-4-yl]thio]ethanesulfonic Acid Sodium,Mafosfamid Sodium,Z 7557,cis-Mafosfamide Sodium;
IUPAC Name sodium 2-(((2R,4R)-2-(bis(2-chloroethyl)amino)-2-oxido-1,3,2-oxazaphosphinan-4-yl)thio)ethane-1-sulfonate
Molecular Formula C9H18Cl2N2NaO5PS2
6

4-Oxo Cyclophosphamide, TRC

CAS: 27046-19-1 Molecular Formula: C7 H12 Cl2 N O4 P Molecular Weight (g/mol): 276.05 IUPAC Name: 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ^{5}-dioxaphosphinan-5-one SMILES: ClCCN(CCCl)P1(=O)OCC(=O)CO1

CAS 27046-19-1
Molecular Weight (g/mol) 276.05
SMILES ClCCN(CCCl)P1(=O)OCC(=O)CO1
IUPAC Name 2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2λ^{5}-dioxaphosphinan-5-one
Molecular Formula C7 H12 Cl2 N O4 P
7

4-Hydroperoxy Cyclophosphamide, TRC

CAS: 39800-16-3 Molecular Formula: C7 H15 Cl2 N2 O4 P Molecular Weight (g/mol): 293.08 IUPAC Name: N,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2λ^{5}-oxazaphosphinan-2-amine SMILES: OOC1CCOP(=O)(N1)N(CCCl)CCCl

CAS 39800-16-3
Molecular Weight (g/mol) 293.08
SMILES OOC1CCOP(=O)(N1)N(CCCl)CCCl
IUPAC Name N,N-bis(2-chloroethyl)-4-hydroperoxy-2-oxo-1,3,2λ^{5}-oxazaphosphinan-2-amine
Molecular Formula C7 H15 Cl2 N2 O4 P
8

Hydroxy Cyclophosphamide Semicarbazone (80%), TRC

CAS: 53948-46-2 Molecular Formula: C8H18Cl2N5O3P Molecular Weight (g/mol): 334.14 Synonym: N,N-bis(2-chloroethyl)phosphorodiamidic Acid 3-[2-(Aminocarbonyl)hydrazinylidene]propyl Ester,NSC 319519,Aldophosphamide Semicarbazone; SMILES: O=P(N(CCCl)CCCl)(N)OCC/C=N/NC(N)=O

CAS 53948-46-2
Molecular Weight (g/mol) 334.14
SMILES O=P(N(CCCl)CCCl)(N)OCC/C=N/NC(N)=O
Synonym N,N-bis(2-chloroethyl)phosphorodiamidic Acid 3-[2-(Aminocarbonyl)hydrazinylidene]propyl Ester,NSC 319519,Aldophosphamide Semicarbazone;
Molecular Formula C8H18Cl2N5O3P
9

Fluorinert FC 40 (Technical Grade), TRC

CAS: 51142-49-5 Molecular Formula: C9F21N •C12F27N Molecular Weight (g/mol): 1192.16 Synonym: Electronic Liquid FC 40,FC 40,FC 40 oil,Fluorinert Electronic Liquid FC 40 IUPAC Name: 1,1,2,2,3,3,4,4,4-nonafluoro-N-(perfluorobutyl)-N-(trifluoromethyl)butan-1-amine--tris(perfluorobutyl)amine (1/1) SMILES: FC(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

CAS 51142-49-5
Molecular Weight (g/mol) 1192.16
SMILES FC(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Synonym Electronic Liquid FC 40,FC 40,FC 40 oil,Fluorinert Electronic Liquid FC 40
IUPAC Name 1,1,2,2,3,3,4,4,4-nonafluoro-N-(perfluorobutyl)-N-(trifluoromethyl)butan-1-amine--tris(perfluorobutyl)amine (1/1)
Molecular Formula C9F21N •C12F27N
10

Bis(2-chloroethyl)amine Hydrochloride, TRC

CAS: 821-48-7 Molecular Formula: C4 H9 Cl2 N . Cl H Molecular Weight (g/mol): 178.49 Synonym: Ethanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1),Diethylamine, 2,2'-dichloro-, hydrochloride (6CI,8CI),Ethanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (9CI),1,5-Dichloro-3-azapentane hydrochloride,2,2'-Dichlorodiethylamine hydrochloride,2-Chloro-N-(2-chloroethyl)ethanamine hydrochloride,Bi(2-chloroethyl)amine hydrochloride,Bis(2-chloroethyl)amine hydrochloride,Bis(2-chloroethyl)ammonium chloride,Bis(β-chloroethyl)amine hydrochloride,Di(2-chloroethyl)amine hydrochloride,Leo 72a,N,N-Bis(2-chloroethyl)amine hydrochloride,NSC 10873,Nornitrogen mustard hydrochloride,β,β'-Dichlorodiethylamine hydrochloride IUPAC Name: 2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride SMILES: Cl.ClCCNCCCl

CAS 821-48-7
Molecular Weight (g/mol) 178.49
SMILES Cl.ClCCNCCCl
Synonym Ethanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (1:1),Diethylamine, 2,2'-dichloro-, hydrochloride (6CI,8CI),Ethanamine, 2-chloro-N-(2-chloroethyl)-, hydrochloride (9CI),1,5-Dichloro-3-azapentane hydrochloride,2,2'-Dichlorodiethylamine hydrochloride,2-Chloro-N-(2-chloroethyl)ethanamine hydrochloride,Bi(2-chloroethyl)amine hydrochloride,Bis(2-chloroethyl)amine hydrochloride,Bis(2-chloroethyl)ammonium chloride,Bis(β-chloroethyl)amine hydrochloride,Di(2-chloroethyl)amine hydrochloride,Leo 72a,N,N-Bis(2-chloroethyl)amine hydrochloride,NSC 10873,Nornitrogen mustard hydrochloride,β,β'-Dichlorodiethylamine hydrochloride
IUPAC Name 2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
Molecular Formula C4 H9 Cl2 N . Cl H
11

N-Nitrosotris-(2-chloroethyl)urea (90%), TRC

CAS: 69113-01-5 Molecular Formula: C7 H12 Cl3 N3 O2 Molecular Weight (g/mol): 276.55 IUPAC Name: 1,1,3-tris(2-chloroethyl)-3-nitrosourea SMILES: ClCCN(CCCl)C(=O)N(CCCl)N=O

CAS 69113-01-5
Molecular Weight (g/mol) 276.55
SMILES ClCCN(CCCl)C(=O)N(CCCl)N=O
IUPAC Name 1,1,3-tris(2-chloroethyl)-3-nitrosourea
Molecular Formula C7 H12 Cl3 N3 O2