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Basic information
- CAS
292620-93-0- Standard SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=Nc1ccccc1- InChIKey
AFHVIXVGKVAMKH-MHZLTWQESA-N- Molecular formula
- C27H21N3O4
- Average molar mass
- 451.5 g/mol
Names & identifiers
- Preferred name
- 7-Phenyliminomethylcamptothecin
- IUPAC
- (19S)-19-ethyl-19-hydroxy-10-(phenyliminomethyl)-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Names & synonyms
7-PhenyliminomethylcamptothecinCPT-154UNII-4N2L946513292620-93-04N2L9465131H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-11-((phenylimino)methyl)-, (4S)-CHEMBL319327SCHEMBL1385182AFHVIXVGKVAMKH-MHZLTWQESA-NQ27260185
Database identifiers
- CAS
292620-93-0- PubChem CID
- 9868433
- ChEMBL
CHEMBL319327- UNII
- 4N2L946513
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 92.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 965
Related reactions
3 records
Compound notes
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