ChemicalBook--->CAS DataBase List--->713516-99-5

713516-99-5

713516-99-5 Structure

713516-99-5 Structure
IdentificationBack Directory
[Name]

AMBRISENTAN
[CAS]

713516-99-5
[Synonyms]

rac Ambrisentan
Ambrisentan Racemate
Ambrisentan Impurity 1(Ambrisentan Racemate)
2-(4,6-Dimethyl-pyrimidin-2-yloxy)-3-methoxy-3,3-diphenyl-propionic acid
Benzenepropanoic acid, α-[(4,6-dimethyl-2-pyrimidinyl)oxy]-β-methoxy-β-phenyl-
alpha-[(4,6-Dimethyl-2-pyrimidinyl)oxy]-beta-methoxy-beta-phenylbenzenepropanoic acid
[Molecular Formula]

C22H22N2O4
[MDL Number]

MFCD08672619
[MOL File]

713516-99-5.mol
[Molecular Weight]

378.43
Chemical PropertiesBack Directory
[Melting point ]

177-179℃ (DEC.)
[Boiling point ]

551.1±60.0 °C(Predicted)
[density ]

1.228
[pka]

0.97±0.10(Predicted)
[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)
[InChIKey]

OUJTZYPIHDYQMC-UHFFFAOYSA-N
[SMILES]

C(C1C=CC=CC=1)(C1C=CC=CC=1)(OC)C(C(=O)O)OC1=NC(C)=CC(C)=N1
Hazard InformationBack Directory
[Uses]

Nonpeptide endothelin ETA receptor antagonist. Antihypertensive.
[Definition]

ChEBI: 2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3-methoxy-3,3-diphenylpropanoic acid is a diarylmethane.
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