Doxylamine succinate, (R)-
Basic information
- CAS
1527484-99-6- Standard SMILES
CN(C)CCO[C@](C)(c1ccccc1)c1ccccn1.O=C(O)CCC(=O)O- InChIKey
KBAUFVUYFNWQFM-UNTBIKODSA-N- Molecular formula
- C21H28N2O5
- Average molar mass
- 388.5 g/mol
- Monoisotopic mass
- 388.199822
Names & identifiers
- Preferred name
- Doxylamine succinate, (R)-
- IUPAC
- butanedioic acid;N,N-dimethyl-2-[(1R)-1-phenyl-1-pyridin-2-ylethoxy]ethanamine
Names & synonyms
Doxylamine succinate, (R)-VEO5JF6T321527484-99-6RefChem:1083990NCGC00017028-02CAS-562-10-7Lopac-D-3775CHEMBL1494294NCGC00016140-01NCGC00017028-01
Database identifiers
- CAS
1527484-99-6- PubChem CID
- 6604097
- ChEMBL
CHEMBL1494294- UNII
- VEO5JF6T32
Properties
Computed structural properties
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 369
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