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Substance Name: BMS-779333
RN: 1095181-60-4
UNII: 3MJN2P4998
InChIKey: GXMLOAUEVGYRGT-LAEBKXJHSA-N

Molecular Formula

  • C19-H17-F3-N2-O4

Molecular Weight

  • 394.3473
 
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Names and Synonyms

Name of Substance

  • BMS-779333

Synonyms

  • Benzonitrile, 4-((3aR,4S,6R,6aS,8aS,8bR)-octahydro-4-hydroxy-6-methyl-7-oxo-3a,6-epoxy-3ah-pyrano(2,3,4-cd)isoindol-8(4H)-yl)-2-(trifluoromethyl)-
  • BMS-779333
  • UNII-3MJN2P4998

Registry Numbers

CAS Registry Number

  • 1095181-60-4

FDA UNII

  • 3MJN2P4998

System Generated Number

  • 1095181604

Structure Descriptors

InChI

1S/C19H17F3N2O4/c1-17-7-12(25)18(28-17)4-5-27-16-14(18)13(17)15(26)24(16)10-3-2-9(8-23)11(6-10)19(20,21)22/h2-3,6,12-14,16,25H,4-5,7H2,1H3/t12-,13+,14-,16-,17+,18-/m0/s1

InChIKey

GXMLOAUEVGYRGT-LAEBKXJHSA-N

Smiles

C[C@]12C[C@@H]([C@@]3(O1)CCO[C@H]4[C@@H]3[C@@H]2C(=O)N4c5ccc(c(c5)C(F)(F)F)C#N)O