Rubitecan
(19S)-19-ethyl-19-hydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
Molecular Identity
Rubitecan
(19S)-19-ethyl-19-hydroxy-8-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
PubChem CID: 472335
Rubitecan is a pyranoindolizinoquinoline that is camptothecin in which the hydrogen at position 9 has been replaced by a nitro group. It is a prodrug for 9-aminocamptothecin. It has a role as an antineoplastic agent, a prodrug and an EC 5.99.1.2 (DNA topoisomerase) inhibitor. It is a delta-lactone, a tertiary alcohol, a C-nitro compound, a pyranoindolizinoquinoline and a semisynthetic derivative.
2D Structure
Properties
C20H15N3O6
Molecular Formula
393.30
Molecular Weight
g/mol
393.0961
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
126
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
861
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Rubitecan9-Nitrocamptothecin91421-42-0Orathecin9-nitro-20(S)-camptothecinCamptogenRFS 2000RFS-2000NitrocamptothecinrubitecanumRFS20009-nitro-(20S)-camptothecinH19C446XXB9-nitro-20-(S)-camptothecinDTXSID7046752
Data from PubChem (NCBI)
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