Basic information
- CAS
7008-24-4- Standard SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccc(Cl)cc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC- InChIKey
FQUMWACBNIURCJ-RWZVGCGMSA-N- Molecular formula
- C32H37ClN2O8
- Average molar mass
- 613.1 g/mol
- Monoisotopic mass
- 612.2238438
Names & identifiers
- Preferred name
- Chloroserpidine
- IUPAC
- methyl (1R,15S,17R,18R,19S,20S)-7-chloro-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
- English name
- Chloroserpidine
- Molecular formula
- C32H37ClN2O8
- Molecular weight
- 613.1
Names & synonyms
ChloroserpidineChlorserpidinumCloroserpidinaChloroserpidinum10-Chlorodeserpidine7008-24-4Chloroserpidine [INN:DCF]Chloroserpidinum [INN-Latin]Cloroserpidina [INN-Spanish]BRN 0073937UNII-98138WON55R 616
Show more names
98138WON55CHLOROSERPIDINE [INN]DTXSID502203524-25-00-01284 (Beilstein Handbook Reference)3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 10-chloro-18-beta-hydroxy-17-alpha-methoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)Chloroserpidinum (INN-Latin)Cloroserpidina (INN-Spanish)RefChem:125512
Database identifiers
- CAS
7008-24-4- PubChem CID
- 71844
- DTXSID
DTXSID50220352- ChEMBL
CHEMBL2105768- UNII
- 98138WON55
- Nikkaji
- J2.409.805B
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 990
Physicochemical properties
- Melting point
- 160 · 160-170 °C
- Boiling point
- 695.689 · 695.689±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.37 · 1.370±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 16.974 · 16.974±0.70(predicted)
- FDA UNII
- 98138 WON55 · 98138WON55
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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