Basic information
- CAS
78355-48-3- Standard SMILES
CC(=O)c1ccc2c(c1)N(CC(C)N(C)C)c1ccccc1S2.CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2.O=C([O-])C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O.[K+].[K+].[OH-]- InChIKey
NXSHRUCPQPNTAW-UHFFFAOYSA-L- Molecular formula
- C54H55ClK2N6O6S2
- Average molar mass
- 1,061.8 g/mol
- Monoisotopic mass
- 1,060.2587165
Names & identifiers
- Preferred name
- Noctran
- IUPAC
- dipotassium;7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylate;1-[10-[2-(dimethylamino)propyl]phenothiazin-2-yl]ethanone;1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanone;hydroxide
Names & synonyms
Noctran78355-48-3FA 522 A
Database identifiers
- CAS
78355-48-3- PubChem CID
- 192141
Properties
Computed structural properties
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 1,320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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