Chlordiazepoxide, nitrosated
Basic information
- CAS
104639-49-8- Standard SMILES
CN=C1CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1.O=N[O-].[Na+]- InChIKey
LAIFZCSWFSVJQD-UHFFFAOYSA-M- Molecular formula
- C16H14ClN4NaO3
- Average molar mass
- 368.75 g/mol
- Monoisotopic mass
- 368.0652123
Names & identifiers
- Preferred name
- Chlordiazepoxide, nitrosated
- IUPAC
- sodium;7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine;nitrite
Names & synonyms
Chlordiazepoxide, nitrosated104639-49-8
Database identifiers
- CAS
104639-49-8- PubChem CID
- 59870
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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