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Substance Name: BQ-123 sodium
RN: 136655-57-7
UNII: 05427HSQ1I
InChIKey: FLIKEIGEOXCRRG-JKNHBXRPSA-M

Molecular Formula

  • C31-H41-N6-O7.Na

Molecular Weight

  • 632.6899
 
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Names and Synonyms

Name of Substance

  • BQ-123 sodium

Synonyms

  • BQ-123 sodium
  • Cyclo(D-alpha-aspartyl-L-prolyl-D-valyl-L-leucyl-D-tryptophyl), monosodium salt
  • UNII-05427HSQ1I

Registry Numbers

CAS Registry Number

  • 136655-57-7

FDA UNII

  • 05427HSQ1I

System Generated Number

  • 0136655577

Structure Descriptors

InChI

1S/C31H42N6O7.Na/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21;/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39);/q;+1/p-1/t21-,22+,23+,24-,26+;/m0./s1

InChIKey

FLIKEIGEOXCRRG-JKNHBXRPSA-M

Smiles

CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N1)C(C)C)CC(=O)[O-])Cc3c[nH]c4c3cccc4.[Na+]