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Substance Name: Obicetrapib sodium
RN: 866399-88-4
UNII: 0X8JBE081M
InChIKey: WXEDTKUVWZVNTI-IINJVQNMSA-M

Molecular Formula

  • C32-H30-F9-N4-O5.Na

Molecular Weight

  • 744.584
 
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Names and Synonyms

Name of Substance

  • Obicetrapib sodium

Synonyms

  • 1(2H)-Quinolinecarboxylic acid, 4-(((3,5-bis(trifluoromethyl)phenyl)methyl)(5-(3-carboxypropoxy)-2-pyrimidinyl)amino)-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-ethyl ester, sodium salt (1:1), (2R,4S)-
  • Obicetrapib sodium
  • UNII-0X8JBE081M

Registry Numbers

CAS Registry Number

  • 866399-88-4

FDA UNII

  • 0X8JBE081M

System Generated Number

  • 0866399884

Structure Descriptors

InChI

1S/C32H31F9N4O5.Na/c1-3-22-14-26(24-13-19(30(33,34)35)7-8-25(24)45(22)29(48)49-4-2)44(28-42-15-23(16-43-28)50-9-5-6-27(46)47)17-18-10-20(31(36,37)38)12-21(11-18)32(39,40)41;/h7-8,10-13,15-16,22,26H,3-6,9,14,17H2,1-2H3,(H,46,47);/q;+1/p-1/t22-,26+;/m1./s1

InChIKey

WXEDTKUVWZVNTI-IINJVQNMSA-M

Smiles

[Na+].CCOC(=O)N1[C@H](CC)C[C@H](N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3ncc(OCCCC(=O)[O-])cn3)c4cc(ccc14)C(F)(F)F