Molecule

FDA 1660

AlkaPlorer ID: AK011224

Synonym: 'Camptothecin sodium', 'Camptothecine sodium', 'Indolizino1,2-bquinoline-7-acetic acid,.alpha.-ethyl- 9,11-dihydro-.alpha.-hydroxy-8-(hydroxymethyl)-9-oxo-,monosodium salt, (S)-', 'Sodium camptothecin', 'Camptothecin, sodium salt', 'CAMPTOTHECIN SODIUM SALT', '21,22-Secocamptothecin-21-oic acid, monosodium salt 20(S)-Camptothecin sodium salt', 'CAMPTOTHECIN, SODIUM SALT'

IUPAC Name: (2S)-2-hydroxy-2-[8-(hydroxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanoic acid

Structure

SMILES: CC[C@@](O)(C(=O)O)C1=C(CO)C(=O)N2CC3=CC4=CC=CC=C4N=C3C2=C1

InChI: InChI=1S/C20H18N2O5/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)/t20-/m0/s1

InChIKey: SARNOWGPKQIWFT-FQEVSTJZSA-N

Reference

Plant antitumor agents. 22. Isolation of 11-hydroxycamptothecin from Camptotheca acuminata decne: total synthesis and biological activity

PubChem CID: 462146

CAS: 25387-67-1

LOTUS: LTS0156034

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Camptotheca acuminata	Camptotheca	Nyssaceae	Cornales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 366.3730000000001

TPSA？: 112.65000000000002

MolLogP？: 1.5996999999999997

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	No relevant target	Drug metabolism	None	None	10.1016/j.bmcl.2016.04.056