AG0025XC

178307-42-1 | Revaprazan (hydrochloride)

AG0025XC

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CAS Number	178307-42-1
Catalog Number	AG0025XC(AGN-PC-0QBBKX)
Chemical Name	Revaprazan (hydrochloride)
IUPAC Name	N-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine;hydrochloride
InChI	InChI=1S/C22H23FN4.ClH/c1-14-15(2)24-22(25-19-10-8-18(23)9-11-19)26-21(14)27-13-12-17-6-4-5-7-20(17)16(27)3;/h4-11,16H,12-13H2,1-3H3,(H,24,25,26);1H
InChI Key	MALPZYQJEDBIAK-UHFFFAOYSA-N
MDL Number	MFCD09955384
Molecular Formula	C22H24ClFN4
Molecular Weight	398.9042
SMILES	CC1N(C2=C(C)C(C)=NC(NC3=CC=C(F)C=C3)=N2)CCC4=C1C=CC=C4.[H]Cl
Synonyms	5,6-dimethyl-2-(4-fluorophenylamino)-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine, Revaprazan, Revaprazan hydrochloride, YH 1885, YH-1885, Revaprazan Hydrochloride, 178307-42-1, Revanex, Revaprazan HCl, Revaprazan, YH1885, SB 641257A, YH 1885, Revaprazan Hydrochloride [USAN], YH-1885, 2-Pyrimidinamine, 4-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-N-(4-fluorophenyl)-5,6-dimethyl-, monohydrochloride, Revaprazan hydrochloride (USAN), 4-(3,4-Dihydro-1-methyl-2(1H)-isoquinolinyl)-N-(4-fluorophenyl)-5,6-dimethyl-2-pyrimidinamine Hydrochloride, 5,6-Dimethyl-2-(4-fluorophenylamino)-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine hydrochloride, N-(4-fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-amine hydrochloride, revaprazan-hydrochloride, AC1L4BX4, C22H23FN4.HCl, SB 641257 Hydrochloride, CHEMBL1257753, AOB5583, MALPZYQJEDBIAK-UHFFFAOYSA-N, ACT04904, BCP09645, 8239AH, AKOS030524777, AM84626, AN-6766, API0005698, RL02278, SB-641257A, FT-0674394, D05722, J-524220, 2-Pyrimidinamine, 4-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-N-(4-fluorophenyl)-5,6-dimethyl-, hydrochloride (1:1), 5,6-dimethyl -2-(4-fluorophenyamino)-4-(1-methyl -1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine hydrochloride, 5,6-dimethyl -2-(4-fluorophenylamino)-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)pyrimidine hydrochloride, 5,6-dimethyl-2-(4-fluorophenylamino)-4-(1-methyl-1,2,3,4-tetrahydroiso-quinolin-2-yl)pyrimidine hydrochloride, 5,6-dimethyl-2-(4-fluorophenylamino)-4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl)-pyrimidine hydrochloride, N-(4-Fluorophenyl)-4,5-dimethyl-6-(1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-amine hydrochloride, N-(4-Fluorophenyl)-5,6-dimethyl-4-((1RS)-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-amine monohydrochloride, Revaprazan Hydrochloride; 2-Pyrimidinamine,4-(3,4-dihydro-1-methyl-2(1H)-isoquinolinyl)-N-(4-fluorophenyl)-5,6-dimethyl-,hydrochloride, UNII-4DQ6T10R64, 4DQ6T10R64, CID204103, ACN-040063,

Complexity	481
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	398.167g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	398.91g/mol
Monoisotopic Mass	398.167g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	41A^2
Undefined Atom Stereocenter Count	1
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

Lot Number