Simmitecan (hydrochloride)

cas: 1247847-78-4 — see every product listed under this CAS number, including other names

Simmitecan (hydrochloride) (CAS 1247847-78-4) is a chemical reagent available from Chemat. Available pack sizes: 10 mg, 1 mg, 5 mg. Offered by: MedChemExpress.

brandMedChemExpress
catalog numberHY-107133-10 mg
cas1247847-78-4
size10 mg
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Available pack sizes

brand size price
MedChemExpress 10 mg 13192.86 Pln
MedChemExpress 1 mg 3612.29 Pln
MedChemExpress 5 mg 8841.43 Pln

properties

delivery time over 3 weeks
purityno data
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)

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