Methoserpedine
Basic information
- CAS
865-04-3- Standard SMILES
COC(=O)C1C2CC3c4[nH]c5ccc(OC)cc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC- InChIKey
ULBNWNUHGJLQHO-UHFFFAOYSA-N- Molecular formula
- C33H40N2O9
- Average molar mass
- 608.7 g/mol
- Monoisotopic mass
- 608.27338086
Overview
See also: Methoserpidine (annotation moved to).
Names & identifiers
- Preferred name
- Methoserpedine
- IUPAC
- methyl 7,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
- English name
- methoserpidine
- Molecular formula
- C33H40N2O9
- Molecular weight
- 608.68
Names & synonyms
865-04-3methyl 7,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylateMethoserpedineNSC169423WLN: T F6 D5 C666 EM ON&&TTTJ JO1 SOVR CO1 DO1 EO1& TO1 UVO1Methyl 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate3.beta., 18.beta.-hydroxy-10,17.alpha.-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)3.beta., 18.beta.-hydroxy-10,17.alpha.-dimethoxy-,methyl ester, 3,4,5-trimethoxybenzoate (ester)Methyl 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)- #R-694R 69410-MD
Show more names
DeaserpylNeoserpinReserteneDecaserpilDecaserpylDecaserpinemethoserpidine
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,000
Physicochemical properties
- Melting point
- 171 °C · 171°C
- Boiling point
- 655.12 °C · 655.12°C (rough estimate)
- Density
- 1.2336 · 1.2336 (rough estimate)
- refractive index
- 1.626 · 1.6260 (estimate)
- pka
- 17.591 · 17.591±0.70(predicted)
- FDA UNII
- 8 F8C1JQH53 · 8F8C1JQH53
- ATC code
- 2 AA06 · C02AA06
Chemistry & industry
Applications
UsesMethoserpidine is an active compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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