alpha-(1-Aziridinylmethyl)-2-nitro-1H-imidazole-1-ethanol
Basic information
- CAS
88876-88-4- Standard SMILES
O=[N+]([O-])c1nccn1CC(O)CN1CC1- InChIKey
OEWYWFJWBZNJJG-UHFFFAOYSA-N- Molecular formula
- C8H12N4O3
- Average molar mass
- 212.21 g/mol
- Monoisotopic mass
- 212.09094026
Overview
structure given in first source
Names & identifiers
- Preferred name
- alpha-(1-Aziridinylmethyl)-2-nitro-1H-imidazole-1-ethanol
- IUPAC
- 1-(aziridin-1-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol
- English name
- 1-(2-nitro-1-imidazolyl)-3-aziridino-2-propanol
- Molecular formula
- C8H12N4O3
- Molecular weight
- 212.21
Names & synonyms
88876-88-4RSU-10691H-Imidazole-1-ethanol, alpha-(1-aziridinylmethyl)-2-nitro-1-(2-nitro-1-imidazolyl)-3-aziridino-2-propanolNSC 347503DTXSID301213980RefChem:915457alpha-(1-Aziridinylmethyl)-2-nitro-1H-imidazole-1-ethanolDTXCID5016453291-(aziridin-1-yl)-3-(2-nitro-1h-imidazol-1-yl)propan-2-olMLS003171052Rsu 1069
Show more names
α-(1-Aziridinylmethyl)-2-nitro-1H-imidazole-1-ethanol1H-Imidazole-1-ethanol, α-(1-aziridinylmethyl)-2-nitro-
NSC-3475031-(2-Nitro-1-imidazoyl)-3-(1-aziridinyl)-2-propanolBRN 4190263CHEMBL63753SCHEMBL367134OEWYWFJWBZNJJG-UHFFFAOYSA-NNSC347503NCI60_003087
Database identifiers
- CAS
88876-88-4- PubChem CID
- 100153
- DTXSID
DTXSID301213980- ChEMBL
CHEMBL63753- Nikkaji
- J22.929F
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Experimental & physicochemical properties
LogP-0.66
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Drugs used to potentiate the effectiveness of radiation therapy in destroying unwanted cells.
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Related reactions
4 records
Compound notes
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