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Substance Name: BO 1236
RN: 105358-77-8
InChIKey: QDBUMQXESHMJDI-AVRDEDQJSA-N

Molecular Weight

  • 632.6722
 
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Names and Synonyms

Name of Substance

  • BO 1236

Synonyms

  • 7-(2-(2-Aminothiazol-4-yl)-2-(1- carboxy-1-methylethoxyimino)acetamido)-3-(5,6-dihydroxy-2-methyl-2-isoindolium)methyl-3-cephem-4-carboxylate
  • BO-1236
  • L 658310
  • L-658,310

Systematic Name

  • 1H-Isoindolium, 2-((7-(((2-amino-4-thiazolyl)((1-carboxy-1-methylethoxy)imino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-2,3-dihydro-5,6-dihydroxy-2-methyl-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))-

Registry Numbers

CAS Registry Number

  • 105358-77-8

System Generated Number

  • 0105358778

Structure Descriptors

InChI

1S/C26H28N6O9S2/c1-26(2,24(39)40)41-30-17(14-10-43-25(27)28-14)20(35)29-18-21(36)31-19(23(37)38)13(9-42-22(18)31)8-32(3)6-11-4-15(33)16(34)5-12(11)7-32/h4-5,10,18,22H,6-9H2,1-3H3,(H6-,27,28,29,30,33,34,35,37,38,39,40)/t18-,22-/m0/s1

InChIKey

QDBUMQXESHMJDI-AVRDEDQJSA-N

Smiles

CC(C)(O\N=C(\C(=O)N[C@@H]1[C@@H]2SCC(=C(N2C1=O)C(=O)[O-])C[N+]3(C)Cc4cc(O)c(O)cc4C3)/c5csc(N)n5)C(=O)O