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Substance Name: JB-95008
RN: 862583-15-1
UNII: 55TZM8F95P
InChIKey: VHAXHRARUCKASM-UJXPALLWSA-L

Molecular Formula

  • C34-H32-F-N5-O7.2Na

Molecular Weight

  • 687.6328
 
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Names and Synonyms

Name of Substance

  • JB-95008

Synonyms

  • Gastrazole
  • UNII-55TZM8F95P

Registry Numbers

CAS Registry Number

  • 862583-15-1

FDA UNII

  • 55TZM8F95P

System Generated Number

  • 0862583151

Structure Descriptors

InChI

1S/C34H34FN5O7.2Na/c35-26-10-6-5-9-20(26)14-29(32(43)39-23-12-21(33(44)45)11-22(13-23)34(46)47)40-31(42)25-16-28-27(37-18-38-28)15-24(25)30(41)36-17-19-7-3-1-2-4-8-19;;/h5-6,9-13,15-16,18-19,29H,1-4,7-8,14,17H2,(H,36,41)(H,37,38)(H,39,43)(H,40,42)(H,44,45)(H,46,47);;/q;2*+1/p-2/t29-;;/m0../s1

InChIKey

VHAXHRARUCKASM-UJXPALLWSA-L

Smiles

c1ccc(c(c1)C[C@@H](C(=O)Nc2cc(cc(c2)C(=O)[O-])C(=O)[O-])NC(=O)c3cc4c(cc3C(=O)NCC5CCCCCC5)[nH]cn4)F.[Na+].[Na+]