Basic information
- CAS
63937-17-7- Standard SMILES
C[C@H]1CC[C@@H]2[NH+](CC3C4C[C@@]56O[C@@]7(O)C([C@@H](O)[C@@H](O)C5[C@]4(O)[C@@H](O)[C@H](O)C3[C@]2(C)O)[C@]6(C)CC[C@@H]7O)C1.[Cl-]- InChIKey
AGPQZJCFTGPUPW-LCEYTCDISA-N- Molecular formula
- C27H44ClNO9
- Average molar mass
- 562.1 g/mol
- Monoisotopic mass
- 561.2704597
Names & identifiers
- Preferred name
- 4,9-Epoxycevane-3,4,6,7,14,15,16,20-octol--hydrogen chloride (1/1)
- IUPAC
- (6S,9S,10S,12R,13S,14S,16S,17R,19S,22S,23S,25R)-6,10,19-trimethyl-24-oxa-4-azoniaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosane-10,12,13,14,16,17,22,23-octol chloride
Names & synonyms
DTXSID009811684,9-Epoxycevane-3,4,6,7,14,15,16,20-octol--hydrogen chloride (1/1)RefChem:1069603DTXCID501408440Protoverine hydrochloride63937-17-7Cevane-3-beta,4-beta,6-alpha,7-alpha,14,15-alpha,16-beta,20-octol, 4,9-epoxy-, hydrochloride
Database identifiers
- CAS
63937-17-7- PubChem CID
- 45474
Properties
Computed structural properties
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 0
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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