Promethazine hibenzate
Basic information
- CAS
96590-75-9- Standard SMILES
CC(CN1c2ccccc2Sc2ccccc21)N(C)C.O=C(O)c1ccccc1C(=O)c1ccc(O)cc1- InChIKey
WCYMACWVZQIWLM-UHFFFAOYSA-N- Molecular formula
- C31H30N2O4S
- Average molar mass
- 526.6 g/mol
- Monoisotopic mass
- 526.19262862
Names & identifiers
- Preferred name
- Promethazine hibenzate
- IUPAC
- N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;2-(4-hydroxybenzoyl)benzoic acid
Names & synonyms
Promethazine hibenzate96590-75-9D08768J2.213.705K27EM8884DEN,N-Dimethyl-1-phenothiazin-10-ylpropan-2-amine; 2-(4-hydroxybenzoyl)benzoic acid2-(4-Hydroxybenzoyl)benzoic acid - N,N-dimethyl-1-(10H-phenothiazin-10-yl)-2-propanamine (1:1)UNII-27EM8884DEHiberna (TN)orb1710704AKOS040732190PROMETHAZINE HIBENZATE [WHO-DD]
Show more names
T0445L1Q27254194N,N-dimethyl-1-phenothiazin-10-ylpropan-2-amine;2-(4-hydroxybenzoyl)benzoic acid
Database identifiers
- CAS
96590-75-9- PubChem CID
- 71449006
- UNII
- 27EM8884DE
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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