Basic information
- CAS
83-60-3- Standard SMILES
COc1ccc2c3c([nH]c2c1)[C@H]1C[C@H]2[C@H](C[C@@H](O)[C@H](OC)[C@H]2C(=O)O)CN1CC3- InChIKey
JVHNBFFHWQQPLL-WOXROFTLSA-N- Molecular formula
- C22H28N2O5
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.199822
Overview
Reserpic acid is a yohimban alkaloid.
Names & identifiers
- Preferred name
- (3beta,16beta,17alpha,18beta,20alpha)-18-Hydroxy-11,17-dimethoxyyohimban-16-carboxylic acid
- IUPAC
- (1R,15S,17R,18R,19S,20S)-17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid
- English name
- Reserpic
- Molecular formula
- C22H28N2O5
- Molecular weight
- 400.46812
Names & synonyms
Reserpic acidReserpinolic acid83-60-3K6L9W0QP1WDTXSID50232112NSC-81463(1R,15S,17R,18R,19S,20S)-17-hydroxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acidCHEBI:46690(3beta,16beta,17alpha,18beta,20alpha)-18-hydroxy-11,17-dimethoxyyohimban-16-carboxylic acidYohimban-16-carboxylic acid, 18-hydroxy-11,17-dimethoxy-, (3beta,16beta,17alpha,18beta,20alpha)-RefChem:178893DTXCID50154603
Show more names
Reserpic
Reserpinic acid hydrochlorideCHEMBL41171618beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylic acidNSC81463UNII-K6L9W0QP1WReserpinsaureNSC 81463Prestwick0_000984
Database identifiers
- CAS
83-60-3- PubChem CID
- 65747
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 95 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 632
Physicochemical properties
- Melting point
- 241 · 241-243°
- Boiling point
- 523.13 °C · 523.13°C (rough estimate)
- Density
- 1.2306 · 1.2306 (rough estimate)
- refractive index
- 1.666 · 1.6660 (estimate)
- FDA UNII
- 6 L9W0QP1W · K6L9W0QP1W
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Additional notes
DefinitionChEBI: Reserpic acid is a yohimban alkaloid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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