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Substance Name: Mdl 28753
RN: 129509-46-2
InChIKey: NHVMAVIXHNUKST-DSHVXGAESA-N

Note

  • Antagonist of leukotriene D4 and antagonist of leukotrine C4.

Molecular Formula

  • C27-H40-O5-S

Molecular Weight

  • 476.674
 
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Names and Synonyms

Name of Substance

  • Mdl 28753

Synonyms

  • (4(S)-(1alpha,4beta,4(Z)))-4-(1-((2-Carboxyethyl)thio)-11-phenyl-2-undecenyl)-4-hydroxycyclohexanecarboxylic acid
  • 4-(1-((2-Carboxyethyl)thio)-11-phenyl-2-undecenyl)-4-hydroxy-,(4(S)-(1alpha, 4beta, 4(Z)))-cyclohexanecarboxylic acid
  • Mdl 28,753

Systematic Name

  • Cyclohexanecarboxylic acid, 4-(1-((2-carboxyethyl)thio)-11-phenyl-2-undecenyl)-4-hydroxy-, (4(S)-(1alpha,4beta,4(Z)))-

Registry Numbers

CAS Registry Number

  • 129509-46-2

System Generated Number

  • 0129509462

Structure Descriptors

InChI

1S/C27H40O5S/c28-25(29)18-21-33-24(27(32)19-16-23(17-20-27)26(30)31)15-11-6-4-2-1-3-5-8-12-22-13-9-7-10-14-22/h7,9-11,13-15,23-24,32H,1-6,8,12,16-21H2,(H,28,29)(H,30,31)/b15-11-/t23-,24-,27-/m0/s1

InChIKey

NHVMAVIXHNUKST-DSHVXGAESA-N

Smiles

c1ccc(cc1)CCCCCCCC/C=C\[C@H](SCCC(=O)O)[C@]2(CC[C@H](CC2)C(=O)O)O