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Substance Name: BBR 2160
RN: 118587-22-7
UNII: GDI0D01TM4
InChIKey: CLMNTOZRDYXVRT-UHFFFAOYSA-N

Molecular Weight

  • 463.5085
 
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Names and Synonyms

Name of Substance

  • BBR 2160

Synonyms

  • Bbr-2160
  • UNII-GDI0D01TM4

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 2-(((2-(formylamino)ethyl)thio)methyl)-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-ethyl 5-methyl ester

Registry Numbers

CAS Registry Number

  • 118587-22-7

FDA UNII

  • GDI0D01TM4

System Generated Number

  • 0118587227

Structure Descriptors

InChI

1S/C21H25N3O7S/c1-4-31-21(27)19-16(11-32-9-8-22-12-25)23-13(2)17(20(26)30-3)18(19)14-6-5-7-15(10-14)24(28)29/h5-7,10,12,18,23H,4,8-9,11H2,1-3H3,(H,22,25)

InChIKey

CLMNTOZRDYXVRT-UHFFFAOYSA-N

Smiles

CCOC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C)CSCCNC=O