Basic information
- CAS
195140-65-9- Standard SMILES
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5.O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl- InChIKey
YQXVUNOZJIWSCD-VYKNHSEDSA-N- Molecular formula
- C31H30Cl2N2O5
- Average molar mass
- 581.5 g/mol
- Monoisotopic mass
- 580.1531774
Names & identifiers
- Preferred name
- Morphine diclofenac
- IUPAC
- (4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid
Names & synonyms
morphine diclofenacYQXVUNOZJIWSCD-VYKNHSEDSA-N
Database identifiers
- CAS
195140-65-9- PubChem CID
- 9851243
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 798
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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