Oxychloroquine diphosphate
Basic information
- CAS
6153-61-3- Standard SMILES
CCN(CC)CC(O)CNc1ccnc2cc(Cl)ccc12.O=P(O)(O)O- InChIKey
GWVKGTRIWYRUKB-UHFFFAOYSA-N- Molecular formula
- C16H25ClN3O5P
- Average molar mass
- 405.8 g/mol
- Monoisotopic mass
- 405.1220356
Names & identifiers
- Preferred name
- Oxychloroquine diphosphate
- IUPAC
- 1-[(7-chloroquinolin-4-yl)amino]-3-(diethylamino)propan-2-ol;phosphoric acid
Names & synonyms
Oxychloroquine diphosphate6153-61-3NSC10032NSC-100322-Propanol, phosphate (1:2) (salt)
Database identifiers
- CAS
6153-61-3- PubChem CID
- 54599799
Properties
Computed structural properties
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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