CHEBI:201804 - Camptothecin sodium

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Camptothecin sodium
ChEBI ID CHEBI:201804
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H17N2O5.Na
Net Charge 0
Average Mass 388.355
Monoisotopic Mass 388.10352
InChI InChI=1S/C20H18N2O5.Na/c1-2-20(27,19(25)26)14-8-16-17-12(9-22(16)18(24)13(14)10-23)7-11-5-3-4-6-15(11)21-17;/h3-8,23,27H,2,9-10H2,1H3,(H,25,26);/q;+1/p-1/t20-;/m1./s1
InChIKey HPSUBMDJBRNXKK-VEIFNGETSA-M
SMILES [Na+].O=C1N2C(C3=NC4=CC=CC=C4C=C3C2)=CC(=C1CO)[C@@](O)(C(=O)[O-])CC
ChEBI Ontology
Outgoing Camptothecin sodium (CHEBI:201804) is a pyranoindolizinoquinoline (CHEBI:48626)
IUPAC Name
sodium;(2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate
Manual Xref Database
13077775 ChemSpider
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