Name: Irinotecan hydrochloride trihydrate
Rating: 5 (10 reviews)

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HIT ID:HIT103284743
Cas No:136572-09-3
常用名:Irinotecan hydrochloride trihydrate
常用名:Irinotecan hydrochloride trihydrate
别名:盐酸伊立替康三水合物, Irinotecan HCl Trihydrate, CPT-11 HCl Trihydrate
别名:盐酸伊立替康三水合物, Irinotecan HCl Trihydrate, CPT-11 HCl Trihydrate
IUPAC:(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate trihydrate hydrochloride
IUPAC:(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate trihydrate hydrochloride
InChI key:KLEAIHJJLUAXIQ-JDRGBKBRSA-N

分子式:C33H45ClN4O9
分子量:677.19
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:2.776473
SMILES:O.O.O.Cl.CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12
SMILES:O.O.O.Cl.CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12

Irinotecan hydrochloride trihydrate (CPT-11 HCl Trihydrate) 通过抑制拓扑异构酶 1 来防止 DNA 展开，可研究结肠癌和直肠癌。

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