Acomonine hydrochloride
Basic information
- CAS
58111-33-4- Standard SMILES
CC[NH+]1CC2(COC)CCC(O)C34[C@@H]2[C@H](OC)C(O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4C1(OC)C2.[Cl-]- InChIKey
HPCUFELRLSMRHW-BGCUAWIOSA-N- Molecular formula
- C25H42ClNO7
- Average molar mass
- 504.1 g/mol
- Monoisotopic mass
- 503.2649804
Names & identifiers
- Preferred name
- Acomonine hydrochloride
- IUPAC
- (2S,5S,6S,8S,10S,17R,18S)-11-ethyl-3,6,18-trimethoxy-13-(methoxymethyl)-11-azoniahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol chloride
Names & synonyms
Acomonine hydrochlorideDelsoline hydrochloride58111-33-4O(sup 14)-Methyliliensine hydrochlorideAconitane-1,7,8-triol, 20-ethyl-4-(methoxymethyl)-6,14,16-trimethoxy-, monohydrochloride, (1-alpha,6-beta,14-alpha,16-beta)-
Database identifiers
- CAS
58111-33-4- PubChem CID
- 42632
- DTXSID
DTXSID10973695
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 829
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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