AG00BXT9

42864-78-8 | 1-((3,4-Dimethoxyphenethyl)amino)-3-(m-tolyloxy)propan-2-ol hydrochloride

AG00BXT9

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CAS Number	42864-78-8
Catalog Number	AG00BXT9(AGN-PC-0JKQSU)
Chemical Name	1-((3,4-Dimethoxyphenethyl)amino)-3-(m-tolyloxy)propan-2-ol hydrochloride
IUPAC Name	1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;hydrochloride
InChI	InChI=1S/C20H27NO4.ClH/c1-15-5-4-6-18(11-15)25-14-17(22)13-21-10-9-16-7-8-19(23-2)20(12-16)24-3;/h4-8,11-12,17,21-22H,9-10,13-14H2,1-3H3;1H
InChI Key	FJTKCFSPYUMXJB-UHFFFAOYSA-N
MDL Number	MFCD00941389
Molecular Formula	C20H28ClNO4
Molecular Weight	381.8936
SMILES	OC(COC1=CC=CC(C)=C1)CNCCC2=CC=C(OC)C(OC)=C2.[H]Cl
Synonyms	bevantolol, bevantolol hydrochloride, CI 775, CI-775, bevantolol hydrochloride, 42864-78-8, Bevantolol HCl, Vantol, 1-((3,4-Dimethoxyphenethyl)amino)-3-(m-tolyloxy)propan-2-ol hydrochloride, Cl 775, CL-775, AK161955, (+-)-1-((3,4-Dimethoxyphenethyl)amino)-3-(m-tolyloxy)-2-propanol hydrochloride, 1-[[2-(3,4-Dimethoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)-2-propanol Hydrochloride, 2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-, HCl (10CI), 1-(3,4-dimethoxyphenethylamino)-3-(m-tolyloxy)propan-2-ol hydrochloride, 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol hydrochloride, 2-Propanol, 1-((3,4-dimethoxyphenethyl)amino)-3-(m-tolyloxy)-, monohydrochloride, CHEBI:31282, 2-Propanol, 1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-, hydrochloride, (+-)-, CI 775, CI-775, Sentiloc, Calvan, 1-[(3,4-Dimethoxyphenethyl)amino]-3-(m-tolyloxy)propan-2-ol Hydrochloride, Bevantolol hydrochloride [USAN], 1-((2-(3,4-DIMETHOXYPHENYL)ETHYL)AMINO)-3-(3-METHYLPHENOXY)-2-PROPANOL HYDROCHLORIDE, Bevantolol hydrochloride [USAN:JAN], Calvan (TN), Vantol (TN), Bevantol hydrochloride, NCGC00182040-01, DSSTox_CID_28559, DSSTox_RID_82831, C20H27NO4.HCl, DSSTox_GSID_48633, SCHEMBL122636, AC1L21I4, CHEMBL2106060, DTXSID5048633, CTK8E8762, BCP12096, Tox21_112977, AC-902, Bevantolol hydrochloride (JAN/USAN), MFCD00941389, AKOS015849685, ACN-048455, API0014988, NC 1400, NC-1400, KS-00000N86, 111GE008, AN-15410, AS-12365, BC680175, CC-11880, AX8078356, CAS-42864-78-8, LS-122160, TC-070950, FT-0639809, ST24036939, D01369, 864B788, C-35676, 1-((3,4-Dimethoxyphenethyl)amino)-3-(m-tolyloxy)propan-2-ol HCl, Dimethoxyphenethyl)amino]-3-(m-tolyloxy)-2-propanol Hydrochloride, 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-ol;hydrochloride, 1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-(3-methylphenoxy)propan-2-olhydrochloride, 2-Propanol, 1-[[2-(3,4-dimethoxyphenyl)ethyl]Amino]-3-(3-methylphenoxy), hydrochloride, 2-Propanol, 1-[[2-(3,4-dimethoxyphenyl)ethyl]Amino]-3-(3methylphenoxy), hydrochloride, Ranestol, Bevantololhydrochloride, UNII-4VB9HU07BC, 4VB9HU07BC, C20H28ClNO4, C20-H27-N-O4.Cl-H, CID39324, B5372, 2-Propanol, 1-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-3-(3-methylphenoxy)-, hydrochloride,

Complexity	355
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	381.171g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	381.897g/mol
Monoisotopic Mass	381.171g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	60A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number