Compound C47H58ClN3O9S

ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrochloride

CAS: 55840-97-6

Molecular Formula	`C47H58ClN3O9S`
Molecular Weight	876.5 g/mol
Topological Polar Surface Area	186.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	12
Rotatable Bonds	14
Exact Mass	875.3582
Heavy Atoms	61
Complexity	1100.0

Chemical Identifiers

CAS Number	55840-97-6
SMILES	`CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O.Cl`
InChIKey	`HKIGPMUNBXIAHY-UHFFFAOYSA-N`

📖 Product Overview

Compound C47H58ClN3O9S (CAS: 55840-97-6) is a chemical compound with molecular formula C47H58ClN3O9S and molecular weight 876.5 g/mol. Its IUPAC systematic name is ethyl 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidine-4-carboxylate;(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrochloride. Topological Polar Surface Area 186.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 12 Rotatable Bonds 14 Exact Mass 875.3582 Heavy Atoms 61 Complexity 1100.0 InChI Key: HKIGPMUNBXIAHY-UHFFFAOYSA-N. SMILES: CCOC(=O)C1(CCN(CC1)CCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O.Cl.

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