ChemSpider 2D Image | Irinotecan HCl Trihydrate | C33H45ClN4O9

Irinotecan HCl Trihydrate

  • Molecular FormulaC33H45ClN4O9
  • Average mass677.185 Da
  • Monoisotopic mass676.287537 Da
  • ChemSpider ID54824

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]chinolin-9-yl-1,4'-bipiperidin-1'-carboxylathydrochloridtrihydrat [German] [ACD/IUPAC Name]
(4S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylate hydrochloride trihydrate [ACD/IUPAC Name]
[1,4'-Bipiperidine]-1'-carboxylic acid, (4S)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester, hydrochloride, hydrate (1:1:3) [ACD/Index Name]
1,4'-Bipipéridine-1'-carboxylate de (4S)-4,11-diéthyl-4-hydroxy-3,14-dioxo-3,4,12,14-tétrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoléin-9-yle, chlorhydrate, trihydrate [French] [ACD/IUPAC Name]
Irinotecan HCl Trihydrate
(+)-7-Ethyl-10-hydroxycamptothecine 10-(1,4'-bipiperidine)-1'-carboxylate, monohydrochloride, trihydrate
(1,4'-Bipiperidine)-1'-carboxylic acid, 4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl ester, monohydrochloride, trihydrate, (S)-
(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-7-yl [1,4'-bipiperidine]-1'-carboxylate trihydrate hydrochloride
(20R)- Irinotecan Hydrochloride Trihydrate
(4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride--water (1/3); 1-[1-({[(4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]oxy}carbonyl)piperidin-4-yl]piperidin-1-ium chloride--water (1/3)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

100286-90-6, 1209093-48-0, 136572-09-3 [DBID]
CPT 11 [DBID]
CPT-11 [DBID]
D01061 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      A hydrate that is the trihydrate form of irinotecan hydrochloride. Onivyde is used in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active. ChEBI CHEBI:90881

    • Bio Activity:

      Cell Cycle/DNA Damage MedChem Express HY-16568
      Cell Cycle/DNA Damage; MedChem Express HY-16568
      Irinotecan Hcl-trihydrate prevents DNA from unwinding by inhibition of topoisomerase 1.; IC50 Value: 15.8 ?M(LoVo cells); 5.17 ?M(HT-29 cells); Target: Topoisomerase I; in vitro: Irinotecan is activated to SN-38 by carboxylesterases to become able to interact with its target, topoisomerase I. MedChem Express HY-16568
      Topoisomerase MedChem Express HY-16568

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site


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