Basic information
- CAS
618911-61-8- Standard SMILES
Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O- InChIKey
KPQZUUQMTUIKBP-RXMQYKEDSA-N- Molecular formula
- C7H11N3O3
- Average molar mass
- 185.18 g/mol
- Monoisotopic mass
- 185.08004122
Names & identifiers
- Preferred name
- Secnidazole, (R)-
- IUPAC
- (2R)-1-(2-methyl-5-nitroimidazol-1-yl)propan-2-ol
Names & synonyms
Secnidazole, (R)-Secnidazole, (-)-7551F316CJ618911-61-8UNII-7551F316CJ(alphaR)-alpha,2-Dimethyl-5-nitro-1H-imidazole-1-ethanol1H-Imidazole-1-ethanol, alpha,2-dimethyl-5-nitro-, (alphaR)(.ALPHA.R)-.ALPHA.,2-DIMETHYL-5-NITRO-1H-IMIDAZOLE-1-ETHANOL1H-IMIDAZOLE-1-ETHANOL, .ALPHA.,2-DIMETHYL-5-NITRO-, (.ALPHA.R)RefChem:202967(R)-secnidazoleSCHEMBL363925
Show more names
(2R)-1-(2-methyl-5-nitroimidazol-1-yl)propan-2-olMFCD29924675PD132276SY486671B2162Q27896193(R)-1-(2-Methyl-5-nitro-1H-imidazol-1-yl)-2-propanol
Database identifiers
- CAS
618911-61-8- PubChem CID
- 667451
- UNII
- 7551F316CJ
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 194
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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