AG003BTA

82586-62-7 | (S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, HCl

AG003BTA

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CAS Number	82586-62-7
Catalog Number	AG003BTA(AGN-PC-0UML4F)
Chemical Name	(S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, HCl
IUPAC Name	(3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride
InChI	InChI=1S/C12H15NO4.ClH/c1-16-10-4-7-3-9(12(14)15)13-6-8(7)5-11(10)17-2;/h4-5,9,13H,3,6H2,1-2H3,(H,14,15);1H/t9-;/m0./s1
InChI Key	ROWPWZMWICGKBY-FVGYRXGTSA-N
MDL Number	MFCD01861226
Molecular Formula	C12H16ClNO4
Molecular Weight	273.7127
SMILES	Cl.COc1cc2CN[C@@H](Cc2cc1OC)C(=O)O
UNII	IN2U440Y6D
Synonyms	82586-62-7, (S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride, UNII-IN2U440Y6D, (S)-(-)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride, (S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid hydrochloride, IN2U440Y6D, (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid Hydrochloride, J-502317, Moexipril related compound E, (3S)-, (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, chloride, Moexipril related compound E [USP], Moexipril related compound E RS [USP], 6,7-Dimethoxy-L-1,2,3,4-tetrahydroisoquinoline 3-carboxylic acid hydrochloride, AC1MC0Q5, CS-WAA0111, SCHEMBL7221540, CTK7A0036, (S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic Acid Hydrochloride, ROWPWZMWICGKBY-FVGYRXGTSA-N, BH754, EBD52983, KS-000012LH, CD-140, FC0567, MFCD01861226, SBB003034, AKOS007930124, AKOS015889775, AC-9337, MCULE-5743902605, RP29689, (S)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid, hydrochloride, 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride, (-)-, 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride, (S)-, 3-Isoquinolinecarboxylic acid, 1,2,3,4-tetrahydro-6,7-dimethoxy-, hydrochloride (1:1), (3S)-, AK111122, TS-00925, AB1006706, AX8022755, CS-0035068, D4375, FT-0653535, ST50320184, 733D660, (S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolin, (S)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid, HCl, (S)-(-)-6,7-Dimethoxy-1,2,3,4-tetrahydro-3-isoquinoline carboxylic acid hydrochloride, (S)-(-)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride, 97%, (S)-(-)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicAcidHydrochloride, 6,7-Dimethoxy-L-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride, Moexipril Related Compound E, United States Pharmacopeia (USP) Reference Standard, ACN-S002400, CID2734261, 103733-66-0, (S)-1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline-3-carboxylic acid, 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride, 6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride, (S)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacidhydrochloride, 1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid hydrochloride, (S)-(-)-6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride, 98% - 1G 1g,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	273.077g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	273.713g/mol
Monoisotopic Mass	273.077g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number