Methoserpidine
Basic information
- CAS
865-04-3- Standard SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccc(OC)cc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC- InChIKey
ULBNWNUHGJLQHO-VKMIBBQISA-N- Molecular formula
- C33H40N2O9
- Average molar mass
- 608.7 g/mol
- Monoisotopic mass
- 608.27338086
Overview
Methoserpidine is a yohimban alkaloid.
Names & identifiers
- Preferred name
- Methoserpidine
- IUPAC
- methyl (1R,15S,17R,18R,19S,20S)-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
MethoserpidineDecaserpylNeoserpinReserteneTenserpina10-MethoxydeserpidineMinoranMetoserpidinaDecaserpilDecaserpinDecaserpineDecoserpyl
Show more names
R-694
Decaserpyl plusDeserpidine, 10-methoxy-MethoserpidinumDeaserpyl10-MDMethoserpidinum [INN-Latin]Metoserpidina [INN-Spanish]R 694
Database identifiers
- CAS
865-04-3- PubChem CID
- 71798
- DTXSID
DTXSID001024699- ChEMBL
CHEMBL3989541- ChEBI
CHEBI:135848- UNII
- 8F8C1JQH53
- EC Number
- 212-733-5
- Nikkaji
- J62.781J
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
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
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
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
Applications
UsesMethoserpidine is an active compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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