Basic information
- Standard SMILES
CCC1C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1- InChIKey
PEZXVOHRDBYBFR-UHFFFAOYSA-N- Molecular formula
- C20H16N2O3
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.11609238
Names & identifiers
- Preferred name
- Npc28848
- IUPAC
- 19-ethyl-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
RefChem:1093028Npc28848DeoxycamptothecinCamptothecin-OHNSC105132SCHEMBL5803262CHEMBL1975782SCHEMBL22492967PEZXVOHRDBYBFR-UHFFFAOYSA-NNSC-105132NCI60_0001264-ethyl-1,12-dihydro-14h-pyrano[3',4':6,7]indolizino[1,2-b]-quinoline-3,14(4h)-dione
Database identifiers
- PubChem CID
- 266552
- ChEMBL
CHEMBL1975782- Nikkaji
- J274.980G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 695
Related reactions
3 records
Linked notes
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