Catalog Number
ACM25387671
Product Name
Sodium camptothecin
Category
Heterocyclic Organic Compound
Synonyms
21,22-Secocamptothecin-21-oicacid,monosodiumsalt
IUPAC Name
sodium (2R)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoate
Molecular Formula
C20H17N2NaO5
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-;/m0./s1
InChI Key
HPSUBMDJBRNXKK-BDQAORGHSA-M
Boiling Point
777.3ºC at 760 mmHg
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
1
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
2
Isomeric SMILES
CC[C@](C1=C(C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1)CO)(C(=O)[O-])O.[Na+]
Monoisotopic Mass
388.10351593
Topological Polar Surface Area
114 Ų
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