Basic information
- CAS
60784-46-5- Standard SMILES
O=NN(CCCl)C(=O)NCCO- InChIKey
YJZJEQBSODVMTH-UHFFFAOYSA-N- Molecular formula
- C5H10ClN3O3
- Average molar mass
- 195.6 g/mol
- Monoisotopic mass
- 195.0410689
Overview
Elmustine is a small molecule drug. The usage of the INN stem '-mustine' in the name indicates that Elmustine is a antineoplastic, alkylating agent, (β-chloroethyl) amine derivative. Elmustine has a monoisotopic molecular weight of 195.04 Da.
Names & identifiers
- Preferred name
- Elmustine
- IUPAC
- 1-(2-chloroethyl)-3-(2-hydroxyethyl)-1-nitrosourea
- English name
- elmustine
- Molecular formula
- C5H10ClN3O3
- Molecular weight
- 195.6
Names & synonyms
ElmustineHecnu60784-46-51-(2-Chloroethyl)-3-(2-hydroxyethyl)-1-nitrosoureaCNU-ethanolElmustinaHydroxyethyl CNUNSC-294895ElmustinumNAT2FD82D71-(2-Hydroxyethyl)-3-(2-chloroethyl)-3-nitrosoureaDTXSID80209610
Show more names
elmustine USP/EP/BP2-[3-(2-Chloroethyl)-3-nitrosoureido]ethanol1-(2-HYDROXYETHYL)-3-(2-CHLOROETHYL)3-NITROSOUREAN-(2-Chloroethyl)-N′-(2-hydroxyethyl)-N-nitrosourea
1-Nitroso-1-chloroethyl-3-hydroxyethylureaN-(2-Chloroethyl)-N'-(2-hydroxyethyl)-N-nitrosourea1-(2-chloroethyl)-1-nitroso-3-(2-hydroxyethyl)urea2-chloroethyl-1-nitrosureidoethanolRefChem:136543DTXCID30132101262-429-1Hemustine
Database identifiers
- CAS
60784-46-5- PubChem CID
- 68804
- DTXSID
DTXSID80209610- ChEMBL
CHEMBL284907- UNII
- NAT2FD82D7
- EC Number
- 262-429-1
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP0.3
Physicochemical properties
- Melting point
- 56 °C · 56°C
- Density
- 1.7238 · 1.7238 (rough estimate)
- refractive index
- 1.581 · 1.5810 (estimate)
- FDA UNII
- 2 FD82D7 · NAT2FD82D7
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.
Applications
UsesHemustine is an inhibitor of human glutathione reductase and is also widely used as an antitumor agent.
Suppliers8 total
大赛璐药物手性技术（上海）有限公司021-50460086-9 15921403865 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
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Compound notes
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