Methyl (3beta,16beta,17alpha,18beta,20alpha)-18-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-11,17-dimethoxyyohimban-16-carboxylate
Basic information
- CAS
35440-49-4- Standard SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)/C=C/c2ccc(O)c(OC)c2)[C@@H]1OC- InChIKey
MMUMZMIKZXSFSD-ADSVITMPSA-N- Molecular formula
- C33H38N2O8
- Average molar mass
- 590.7 g/mol
- Monoisotopic mass
- 590.26281617
Overview
Rescimetol is an organic molecular entity.
Names & identifiers
- Preferred name
- Methyl (3beta,16beta,17alpha,18beta,20alpha)-18-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-11,17-dimethoxyyohimban-16-carboxylate
- IUPAC
- methyl (1R,15S,17R,18R,19S,20S)-17-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
- English name
- Rescimetol
- Molecular formula
- C33H38N2O8
- Molecular weight
- 590.66
Names & synonyms
Rescimetol73573-42-9RescimetolumDTXSID205781525YF317R6SDTXCID3031604RefChem:1089195Methyl (3beta,16beta,17alpha,18beta,20alpha)-18-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-11,17-dimethoxyyohimban-16-carboxylateCD-340035440-49-4CD 3400methyl (1R,15S,17R,18R,19S,20S)-17-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Show more names
WHO4939WHO-4939RESCIMETOL(SUBJECTTOPATENTFREE)Yohimban-16-carboxylic acid, 18-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-11,17-dimethoxy-, methyl ester, (3β,16β,17α,18β,20α)-
4-Hydroxy-3-methoxycinnamoyl Methyl Reserpate (Rescimetol)Methyl 18beta-hydroxy-11,17alpha-dimethoxy-3beta,20alpha-yohimban-16beta-carboxylate (E)-4-hydroxy-3-methoxycinnamate (ester)Toscarna; WHO 4939Rescimetol [INN:JAN]Rescimetolum [INN-Latin]UNII-25YF317R6SMethyl O-(4-hydroxy-3-methoxycinnamoyl)reserpateWHO 4939
Database identifiers
- CAS
35440-49-4、73573-42-9- PubChem CID
- 5282209
- DTXSID
DTXSID2057815- ChEMBL
CHEMBL2103886- ChEBI
CHEBI:32093- UNII
- 25YF317R6S
- Nikkaji
- J12.664K、J22.696C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,020
Physicochemical properties
- Melting point
- 259 · 259-260°
- FDA UNII
- 25 YF317R6S · 25YF317R6S
Chemistry & industry
Additional notes
DefinitionChEBI: Rescimetol is an organic molecular entity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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