Products 1247847-78-4

CAS 1247847-78-4 appears in our catalog under these names: Simmitecan hydrochloride/ 98.36% (existing batch purity), Simmitecan, Simmitecan (hydrochloride). Offered by: TargetMol, Biosynth, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 25mg, 50mg, 250mg, 10 mg, 1 mg, 5 mg.

Simmitecan hydrochloride/ 98.36% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 25mg, 50mg
  • Variants: 4
from 3905.61
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Simmitecan
Biosynth, Chemat
  • size: 250mg, 1mg, 5mg, 25mg
  • Variants: 5
from 2939.60
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Simmitecan (hydrochloride)
MedChemExpress
  • size: 10 mg, 1 mg, 5 mg
  • Variants: 3
from 3612.29
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Structural formula: {0} (CAS {1})

[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-8-prop-2-enyl-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)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;hydrochloride (CAS 1247847-78-4) is a chemical compound with the molecular formula C34H39ClN4O6 and a molecular weight of 635.1 g/mol. IUPAC name: [(19S)-19-ethyl-19-hydroxy-14,18-dioxo-8-prop-2-enyl-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)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;hydrochloride. InChIKey: UWNITDCAZZJJFF-GXUZKUJRSA-N.

Identity
Molecular formulaC34H39ClN4O6
Molecular weight635.1 g/mol
IUPAC name[(19S)-19-ethyl-19-hydroxy-14,18-dioxo-8-prop-2-enyl-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)-heptaen-7-yl] 4-piperidin-1-ylpiperidine-1-carboxylate;hydrochloride
InChIKeyUWNITDCAZZJJFF-GXUZKUJRSA-N
SMILESCC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CC=C)OC(=O)N6CCC(CC6)N7CCCCC7)N=C4C3=C2)O.Cl

Computed by PubChem (NCBI)

Synonyms: Simmitecan, Simmitecan hydrochloride, 9-allyl-10-piperidyl piperidine formyloxy-camptothecin, Simmitecan (hydrochloride), Simmitecan [WHO-DD], orb1738343, Simmitecan hydrochloride [WHO-DD]