AG00252R

177036-94-1 | (2S)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid

AG00252R

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CAS Number	177036-94-1
Catalog Number	AG00252R(AGN-PC-050FRA)
Chemical Name	(2S)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid
IUPAC Name	(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid
InChI	InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1
InChI Key	OUJTZYPIHDYQMC-LJQANCHMSA-N
MDL Number	MFCD09842330
Molecular Formula	C22H22N2O4
Molecular Weight	378.4211
SMILES	CC1=NC(=NC(=C1)C)O[C@H](C(=O)O)C(C1=CC=CC=C1)(C1=CC=CC=C1)OC
UNII	HW6NV07QEC
Synonyms	(+)-(2S)-2-((4,6-dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid, ambrisentan, BSF 208075, BSF-208075, BSF208075, Letairis, LU 208075, LU-208075, LU208075, Ambrisentan, 177036-94-1, Letairis, Volibris, BSF 208075, (S)-2-(4,6-Dimethylpyrimidin-2-yloxy)-3-methoxy-3,3-diphenylpropanoic acid, UNII-HW6NV07QEC, LU-208075, HW6NV07QEC, LU 208075, CHEMBL1111, (S)-2-((4,6-Dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid, BSF-208075, (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid, DSSTox_CID_26282, DSSTox_RID_81508, DSSTox_GSID_46282, LU208075, (s)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropionic acid, CAS-177036-94-1, Ambrisentan [INN:BAN:JAN], (+-)-(2S)-2-((4,6-Dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid, BSF 208075;AMBRISENTAN, NCGC00160662-01, Letairis (TN), Volibris (TN), AK-38379, AC1OCFHZ, PubChem18318, Ambrisentan (JAN/INN), SCHEMBL3679, MLS006010218, GTPL3951, DTXSID4046282, CTK8B8152, CHEBI:135949, OUJTZYPIHDYQMC-LJQANCHMSA-N, ZINC538627, KS-00000FU3, Tox21_111967, ANW-59416, BDBM50146710, CA0131, FD7219, MFCD08672619, s2097, AKOS015994540, Tox21_111967_1, AC-9015, CS-0447, DB06403, DE-0223, SB17358, NCGC00160662-02, NCGC00346730-01, AJ-23403, BC224510, Benzenepropanoic acid, alpha-[(4,6-dimethyl-2-pyrimidinyl)oxy]-beta-methoxy-beta-phenyl-, (alphaS)-, HY-13209, SMR004701307, AB0009811, AB2000501, AX8118907, TC-148161, FT-0650339, SW219060-1, LU-208075,BSF-208075, D07077, K-5435, AB01566890_01, A812234, J-519579, UNII-7B43003091 component OUJTZYPIHDYQMC-LJQANCHMSA-N, (?S)-?-[(4,6-Dimethyl-2-pyrimidinyl)oxy]-?-methoxy-?-phenylbenzenepropanoic acid, (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-di(phenyl)propanoic acid, (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoic acid, (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3-methoxy-3,3-diphenylpropanoic acid, (2S)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy- 3,3-diphenylpropanoic acid, (S)-2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3,3-diphenyl-propionic acid, null, Ambrisentan [INN], D0X5ZI, Gilead brand of ambrisentan, cc-160, BSF208075, C22H22N2O4, Ambrisentan, 98% - 25MG 25mg, C22-H22-N2-O4, ACN-030051, CID6918493, CS-O-00462, A2966, B2075, A11291, C467894, 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenyl-propanoic acid, 2-(4,6-dimethylpyrimidin-2-yl)oxy-3-methoxy-3,3-diphenylpropanoic acid, 2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid, (+)-(2S)-2-((4,6-dimethylpyrimidin-2-yl)oxy)-3-methoxy-3,3-diphenylpropanoic acid, (+)-(2s)-2-[(4,6-dimethylpyrimidin-2-yl)oxy]-3-methoxy-3,3-diphenylpropanoic acid, Benzenepropanoic acid, .alpha.-[(4,6-dimethyl-2-pyrimidinyl)oxy]-.beta.-methoxy-.beta.-phe, (alpha S)-alpha-[(4,6-Dimethyl-2-pyrimidinyl)oxy]-beta-methoxy-beta-phenylbenzenepropanoic acid,

Complexity	475
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	378.158g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	378.428g/mol
Monoisotopic Mass	378.158g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	81.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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

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