Menabitan Hydrochloride structure

Menabitan Hydrochloride

[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 2-methyl-4-(2-methylpiperidin-1-yl)butanoate;dihydrochloride

Also Known As: Menabitan hydrochloride|Menabitan HCl|MENABITAN|Menabitan hydrochloride [USAN]|Menabitan dihydrochloride|Menabitan (dihydrochloride)|Menabitan hydrochloride (USAN)|SP-204|SP 204|HY-160991A|[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 2-methyl-4-(2-methylpiperidin-1-yl)butanoate;dihydrochloride|(+-)-8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl alpha,2-dimethyl-1-piperidinebutyrate, dihydrochloride|1-Piperidinebutanoic acid, alpha,2-dimethyl-, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, dihydrochloride|1-Piperidinebutanoic acid, alpha,2-dimethyl-, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, dihydrochloride, (+-)-|(+-)-8-(1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYNYL)-2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-YL .ALPHA.,2-DIMETHYL-1-PIPERIDINEBUTYRATE, DIHYDROCHLORIDE|(+/-)-8-(1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYNYL)-2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-YL .ALPHA.,2-DIMETHYL-1-PIPERIDINEBUTYRATE, DIHYDROCHLORIDE|[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 2-methyl-4-(2-methylpiperidin-1-yl)butanoate dihydrochloride|[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 2-methyl-4-(2-methylpiperidin-1-yl)butanoate,dihydrochloride|[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl]2-methyl-4-(2-methylpiperidin-1-yl)butanoate|1-PIPERIDINEBUTANOIC ACID, .ALPHA.,2-DIMETHYL-, 8-(1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYNYL)-2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-YL ESTER, DIHYDROCHLORIDE, (+-)-|1-PIPERIDINEBUTANOIC ACID, .ALPHA.,2-DIMETHYL-, 8-(1,2-DIMETHYLHEPTYL)-1,3,4,5-TETRAHYDRO-5,5-DIMETHYL-2-(2-PROPYNYL)-2H-(1)BENZOPYRANO(4,3-C)PYRIDIN-10-YL ESTER, DIHYDROCHLORIDE, (+/-)-|5,5-Dimethyl-8-(3-methyloctan-2-yl)-2-(prop-2-yn-1-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-yl 2-methyl-4-(2-methylpiperidin-1-yl)butanoate--hydrogen chloride (1/2)

CAS: 58019-50-4
Molecular Formula C37H58Cl2N2O3
Molecular Weight 648.38245 g/mol
LogP 8.9196
Topological Polar Surface Area 42.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
Rotatable Bonds 13
Exact Mass 648.38245
Monoisotopic Mass 648.38245
Heavy Atoms 44
Complexity 979.0

Chemical Identifiers

CAS Number 58019-50-4
SMILES CCCCCC(C)C(C)C1=CC2=C(C3=C(CCN(C3)CC#C)C(O2)(C)C)C(=C1)OC(=O)C(C)CCN4CCCCC4C.Cl.Cl
InChIKey VYBDZIGAEAYRMM-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (2 patents) Biotechnology (5 patents) Heterocyclic Building Blocks (1 patents) Peptides & Amino Acids (4 patents) Pharmaceutical Intermediates (74 patents)

Product Overview

Menabitan Hydrochloride (CAS 58019-50-4), with molecular formula C37H58Cl2N2O3 and molecular weight 648.38245 g/mol. IUPAC: [5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 2-methyl-4-(2-methylpiperidin-1-yl)butanoate;dihydrochloride.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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