Basic information
- CAS
1178-29-6- Standard SMILES
COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC)[C@@H]1OC.Cl- InChIKey
RVUCXCLULXWKIQ-TVFCCTGHSA-N- Molecular formula
- C24H33ClN2O5
- Average molar mass
- 465 g/mol
- Monoisotopic mass
- 464.2077999
Names & identifiers
- Preferred name
- Pacitran
- IUPAC
- methyl (1R,15S,17R,18R,19S,20S)-6,17,18-trimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
Names & synonyms
Pacitran14457-27-3RefChem:928484Su 8842 hydrochlorideMethyl 18-epireserpate methyl ether hydrochloride3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 11,17-alpha,18-beta-trimethoxy-, methyl ester, hydrochlorideDTXSID00932337Methyl 11,17,18-trimethoxyyohimban-16-carboxylate--hydrogen chloride (1/1)Methyl 11,17alpha,18beta-trimethoxy-3beta,20alpha-yohimban-16beta-carboxylate--hydrogen chloride (1/1)
Database identifiers
- CAS
1178-29-6、14457-27-3- PubChem CID
- 203449
- DTXSID
DTXSID00932337
Properties
Computed structural properties
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 662
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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