AO-080/43342692
Basic information
- CAS
105730-37-8- Standard SMILES
C[N+]12CCC34c5ccccc5N5C(=O)CC6OCC=C(C1)C(CC32)C6C54- InChIKey
CTCZKABHVPGYMK-UHFFFAOYSA-N- Molecular formula
- C22H25N2O2+
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.19160304
Names & identifiers
- Preferred name
- AO-080/43342692
- IUPAC
- 6-methyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
Names & synonyms
105730-37-8DTXSID70329194AO-080/43342692RefChem:319915DTXCID7028029619-methyl-10-oxostrychnidin-19-ium6-Methyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-oneCHEMBL4758297AKOS00366296117-methyl-9-oxo-12-oxa-8-aza-17-azoniaheptacyclo[15.5.2.0~1,18~.0~2,7~.0~8,22~.0~11,21~.0~15,20~]tetracosa-2,4,6,14-tetraene
Database identifiers
- CAS
105730-37-8- PubChem CID
- 418258
- DTXSID
DTXSID70329194- ChEMBL
CHEMBL4758297
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 1
- Complexity
- 734
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Compound notes
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