4-Hydroxy-3,10,11-trimethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
Basic information
- CAS
60332-15-2- Standard SMILES
COc1cc2c(cc1OC)C(=O)Cc1ccc(OC)c(O)c1CN(C)CC2- InChIKey
OTIXTLQHXDIHCP-UHFFFAOYSA-N- Molecular formula
- C21H25NO5
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.1732729
Names & identifiers
- Preferred name
- 4-Hydroxy-3,10,11-trimethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
- IUPAC
- 4-hydroxy-3,10,11-trimethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-one
Names & synonyms
60332-15-2NSC282146PROTOTHALIPINE4-hydroxy-3,10,11-trimethoxy-6-methyl-5,7,8,14-tetrahydrobenzo[e][2]benzazecin-13-oneDTXSID10314367NSC-2821464-Hydroxy-3,10,11-trimethoxy-6-methyl-5,7,8,14-tetrahydrodibenzo[c,g]azecin-13(6H)-one
Database identifiers
- CAS
60332-15-2- PubChem CID
- 323258
- DTXSID
DTXSID10314367
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 501
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Compound notes
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