Topotecan hydrochloride (SKF 104864), Topoisomerase inhibitor

Key facts

CAS number

119413-54-6

Purity

>98%

Form

Solid

form

Molecular weight

457.9 Da

Molecular formula

C₂₃H₂₄ClN₃O₅

PubChem

60699

Nature

Synthetic

Solubility

Soluble in water to 100 mM

Soluble in DMSO to 100 mM

Biochemical name

Topotecan hydrochloride

Biological description

Topoisomerase I inhibitor. Water-soluble derivative of camptothecin (ab120115). Anticancer agent.

Canonical smiles

CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O.Cl

Isomeric smiles

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O.Cl

InChi

InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1

InChiKey

DGHHQBMTXTWTJV-BQAIUKQQSA-N

IUPAC Name

(19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;hydrochloride