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Exatecan

Catalog Number: EVT-253801

CAS Number: 171335-80-1

Molecular Formula: C24H22FN3O4

Molecular Weight: 435.4 g/mol

The product is for non-human research only. Not for therapeutic or veterinary use.

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Product Introduction

Description

Exatecan is a synthetic compound that belongs to the class of topoisomerase I inhibitors. It is a potent anticancer agent that has shown promising results in preclinical studies. Exatecan has a unique chemical structure that distinguishes it from other topoisomerase I inhibitors.

Properties

CAS Number

171335-80-1

Product Name

Exatecan

IUPAC Name

(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione

Molecular Formula

C24H22FN3O4

Molecular Weight

435.4 g/mol

InChI

InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1

InChI Key

ZVYVPGLRVWUPMP-FYSMJZIKSA-N

SMILES

CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O

Synonyms

(1S,9S)-1-amino-9-ethyl-5-fluoro-2,3-dihydro-9-hydroxy-4-methyl-1H,12H-benzo(de)pyrano(3',4'-6,7)indolizino(1,2-b)quinoline-10,13(9H,15H)dione methanesulfonate
DX 8951
DX 8951f
DX-8951
DX-8951a
DX-8951f
exatecan
exatecan mesilate hydrate
exatecan mesylate
exatecan methanesulfonate dihydrate

Canonical SMILES

CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O

Isomeric SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O

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