Basic information
- CAS
129565-13-5- Standard SMILES
COc1cc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3COC(=O)N32)cc(OC)c1OC- InChIKey
SCLLIEKCYQJGGW-RNODOKPDSA-N- Molecular formula
- C22H22N2O5
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.15287181
Names & identifiers
- Preferred name
- Methylazatoxin
- IUPAC
- (10R,15S)-10-(3,4,5-trimethoxyphenyl)-13-oxa-8,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-12-one
Names & synonyms
Methylazatoxin129565-13-5DTXSID70156200(5R,11aS)-5-(3,4,5-Trimethoxyphenyl)-5,6,11,11a-tetrahydro-1H,3H-[1,3]oxazolo[3',4':1,6]pyrido[3,4-b]indol-3-one
Database identifiers
- CAS
129565-13-5- PubChem CID
- 148162
- DTXSID
DTXSID70156200- Nikkaji
- J647.722D
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 73 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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