AG00GTCC

913358-93-7 | (R)-2-((S)-6,7-dimethoxy-1-(4-methylphenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide hydrochloride

AG00GTCC

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CAS Number	913358-93-7
Catalog Number	AG00GTCC(AGN-PC-0WNHER)
Chemical Name	(R)-2-((S)-6,7-dimethoxy-1-(4-methylphenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide hydrochloride
IUPAC Name	(2R)-2-[(1S)-6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methyl-2-phenylacetamide;hydrochloride
InChI	InChI=1S/C29H31F3N2O3.ClH/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32;/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35);1H/t24-,27+;/m0./s1
InChI Key	BYGBTDRDPBJUBB-LHIMUUITSA-N
MDL Number	MFCD14636620
Molecular Formula	C29H35ClN2O3
Molecular Weight	495.0528
SMILES	O=C([C@@H](C1=CC=CC=C1)N2[C@H](C3=C(CC2)C=C(C(OC)=C3)OC)CCC4=CC=C(C=C4)C)NC.[H]Cl
UNII	O4Z94D9A99
Synonyms	Almorexant HCl, Almorexant hydrochloride, Almorexant (hydrochloride), 913358-93-7, act-078573 hydrochloride, UNII-O4Z94D9A99, O4Z94D9A99, almorexant-hcl, SCHEMBL1935015, BYGBTDRDPBJUBB-LHIMUUITSA-N, (R)-2-((S)-6,7-Dimethoxy-1-(4-(trifluoromethyl)phenethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-N-methyl-2-phenylacetamide hydrochloride, AOB87736, BCP08993, HY-10805A, s2160, CS-2485, ACT-078573 hydrochloride;ACT 078573 hydrochloride;ACT078573 hydrochloride, (2r)-2-{(1S)-6,7-dimethoxy-1-[2-(4-trifluoromethyl-phenyl)-ethyl]-3,4-dihydro-1h-isoquinolin-2-yl}-n-methyl-2-phenyl-acetamide hydrochloride, 2(1H)-Isoquinolineacetamide, 3,4-dihydro-6,7-dimethoxy-N-methyl-alpha-phenyl-1-(2-(4-(trifluoromethyl)phenyl)ethyl)-, hydrochloride (1:1), (alphaR,1S)-, 871224-63-4,

Complexity	722
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	548.205g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	549.031g/mol
Monoisotopic Mass	548.205g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	50.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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