Cyclopiamine A
Basic information
- CAS
72361-74-1- Standard SMILES
COc1ccc2c3c1C(=O)CC(C)(C)N3C(=O)[C@@]21C[C@]2([N+](=O)[O-])CN3CCC[C@@H]3C[C@H]2C1(C)C- InChIKey
LUESCPPTDJZZQN-VBPSCBQFSA-N- Molecular formula
- C26H33N3O5
- Average molar mass
- 467.6 g/mol
- Monoisotopic mass
- 467.24202116
Names & identifiers
- Preferred name
- Cyclopiamine A
- IUPAC
- (5aR,7R,8aS,9aR)-7'-methoxy-8,8,11',11'-tetramethyl-5a-nitrospiro[1,2,3,5,6,8a,9,9a-octahydrocyclopenta[f]indolizine-7,3'-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene]-2',9'-dione
Names & synonyms
Cyclopiamine A22-epi-Cyclopiamine B8VNS7Z0996UNII-8VNS7Z099672361-74-1Spiro(1H-cyclopent(f)indolizine-7(5H),1'(2'H)-(6H)pyrrolo(3,2,1-ij)quinoline)-2',6'-dione, 2,3,4',5',5a,6,8,8a,9,9a-decahydro-7'-methoxy-4',4',8,8-tetramethyl-5a-nitro-, (1'R,5aR,8aS,9aR)-Cyclopyamine ACHEMBL1642249Q27896767
Database identifiers
- CAS
72361-74-1- PubChem CID
- 53319962
- ChEMBL
CHEMBL1642249- UNII
- 8VNS7Z0996
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 959
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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