Sarmustine
Basic information
- CAS
81965-43-7- Standard SMILES
CN(CC(N)=O)C(=O)N(CCCl)N=O- InChIKey
HYHJFNXFVPGMBI-UHFFFAOYSA-N- Molecular formula
- C6H11ClN4O3
- Average molar mass
- 222.63 g/mol
- Monoisotopic mass
- 222.0519679
Overview
2-chloroethyl-3-sarcosinamide-1-nitrosourea has been used in trials studying the treatment of Colorectal Cancer, Brain and Central Nervous System Tumors, and Unspecified Adult Solid Tumor, Protocol Specific.
Names & identifiers
- Preferred name
- Sarmustine
- IUPAC
- 2-[[2-chloroethyl(nitroso)carbamoyl]-methylamino]acetamide
- English name
- Sarcosinamide chloroethylnitrosourea
- Molecular formula
- C6H11ClN4O3
- Molecular weight
- 222.63
Names & synonyms
SarmustineSarcnu81965-43-72-Chloroethyl-3-sarcosinamide-1-nitrosoureaBHB013S3MOSarcosinamide chloroethyl nitrosoureaCCRIS 9380NSC 3644321-(Carbamoylmethyl)-3-(2-chloroethyl)-1-methyl-3-nitrosoureaUrea, 1-(carbamoylmethyl)-3-(2-chloroethyl)-1-methyl-3-nitroso-DTXSID90231487Acetamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)methylamino)-
Show more names
NSC-364432Sarcosinamide chloroethylnitrosoureaAcetamide, 2-[[[(2-chloroethyl)nitrosoamino]carbonyl]methylamino]-
NSC364432SARCOSINEAMIDE CHLOROETHYLNITROSOUREA2-CHLOROETHYL-3-SARCOSINAMIDE-1-NITROSOUREA [WHO-DD]2-[{[(2-chloroethyl)(nitroso)amino]carbonyl}(methyl)amino]acetamide2-{[N-(2-CHLOROETHYL)-N'-OXOHYDRAZINECARBONYL](METHYL)AMINO}ACETAMIDESarcosinamide nitrosourea2-((((2-Chloroethyl)(Nitroso)Amino)Carbonyl)(Methyl)Amino)Acetamide2-((N-(2-chloroethyl)-N'-oxohydrazinecarbonyl)(methyl)amino)acetamide
Database identifiers
- CAS
81965-43-7- PubChem CID
- 100773
- DTXSID
DTXSID90231487- ChEMBL
CHEMBL166937- UNII
- BHB013S3MO
- Nikkaji
- J553.095D
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 235
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- FDA UNII
- 13 S3MO · BHB013S3MO
Chemistry & industry
Applications
UsesSarcosinamide chloroethylnitrosourea is an orally active alkylating agent. Sarcosinamide chloroethylnitrosourea can induce apoptosis by promoting DNA alkylation. Sarcosinamide chloroethylnitrosourea can be used in cancer-related research[1].
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Compound notes
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