beta-Erythroidine hydrochloride
Basic information
- CAS
596-11-2- Standard SMILES
CO[C@H]1C=CC2=CC[NH+]3CCC4=C(CC(=O)OC4)[C@]23C1.[Cl-]- InChIKey
PLENFHSJZZDRNT-LINSIKMZSA-N- Molecular formula
- C16H20ClNO3
- Average molar mass
- 309.79 g/mol
- Monoisotopic mass
- 309.1131712
Names & identifiers
- Preferred name
- beta-Erythroidine hydrochloride
- IUPAC
- (1S,16R)-16-methoxy-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one chloride
Names & synonyms
beta-erythroidine hydrochloride18N5E1RCCV596-11-2RefChem:119365I2-Erythroidine hydrochloridebeta-ERYTHROIDINE, HYDROCHLORIDEUNII-18N5E1RCCV16(15H)-Oxaerythrinan-15-one, 1,2,6,7-tetradehydro-14,17-dihydro-3-methoxy-, hydrochloride(1S,16R)-16-methoxy-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one;chloride
Database identifiers
- CAS
596-11-2- PubChem CID
- 11690
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 560
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Compound notes
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