Molecular Identity
9-Aminocamptothecin
(19S)-8-amino-19-ethyl-19-hydroxy-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
PubChem CID: 72402
9-Aminocamptothecin is a pyranoindolizinoquinoline.
2D Structure
Properties
C20H17N3O4
Molecular Formula
363.40
Molecular Weight
g/mol
363.1219
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
775
Complexity
SMILES
Canonical SMILES
SMILES: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)OIsomeric SMILES
SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)OSynonyms(20)
9-Aminocamptothecin91421-43-19-Amino-cpt9-AMINO-20(S)-CAMPTOTHECINNSC-6030715MB77ICE2QNSC 603071(19S)-8-amino-19-ethyl-19-hydroxy-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-dioneDTXSID10873202(19S)-8-amino-19-ethyl-19-hydroxy-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-dioneRefChem:107746DTXCID508206999-amino-20-camptothecin, (R,S)-aminocamptothecin9-Amino-camptothecin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to 9-Aminocamptothecin
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