ALB-109564 (hydrochloride)

cas: 1300114-12-8 — see every product listed under this CAS number, including other names

ALB-109564 (hydrochloride) (CAS 1300114-12-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1300114-12-8
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Structural formula: {0} (CAS {1})

Methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-7-methylsulfanyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;dihydrochloride (CAS 1300114-12-8) is a chemical compound with the molecular formula C47H62Cl2N4O9S and a molecular weight of 930.0 g/mol. IUPAC name: methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-7-methylsulfanyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;dihydrochloride. InChIKey: MTABGSVEFKMZFG-USKOTZBXSA-N.

Identity
Molecular formulaC47H62Cl2N4O9S
Molecular weight930.0 g/mol
IUPAC namemethyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-7-methylsulfanyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;dihydrochloride
InChIKeyMTABGSVEFKMZFG-USKOTZBXSA-N
SMILESCC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=C(N3)C=CC(=C4)SC)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.Cl.Cl

Computed by PubChem (NCBI)

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