Basic information
- CAS
10450-53-0- Standard SMILES
CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O- InChIKey
WUJMCJWDNKVBOU-UHFFFAOYSA-N- Molecular formula
- C41H37ClN2O6
- Average molar mass
- 689.2 g/mol
- Monoisotopic mass
- 688.2340146
Names & identifiers
- Preferred name
- Chlorcyclizine pamoate
- IUPAC
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine
Names & synonyms
CHLORCYCLIZINE PAMOATEChlorcyclizine embonateUNII-73R47NSS6P73R47NSS6P10450-53-0Q27266197
Database identifiers
- CAS
10450-53-0- PubChem CID
- 24296
- UNII
- 73R47NSS6P
Properties
Computed structural properties
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 869
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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