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Substance Name: ICI 213689
RN: 124190-28-9
UNII: 9H9WBH911Y
InChIKey: CDYPSIIDXKMBLV-CFINEGTKSA-N

Note

  • A meropenem metabolite.

Molecular Formula

  • C17-H27-N3-O6-S

Molecular Weight

  • 401.4813
 
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Names and Synonyms

Name of Substance

  • ICI 213689

Synonyms

  • H 4295
  • H-4295
  • Ici-213,689
  • UK 1a
  • UNII-9H9WBH911Y
  • ZM 213,689
  • ZM 213689

Systematic Names

  • 2H-Pyrrole-2-acetic acid, 5-carboxy-4-(((3S,5S)-5-((dimethylamino)carbonyl)-3-pyrrolidinyl)thio)-3,4-dihydro-alpha-(1-hydroxyethyl)-3-methyl-, (alphaS,2S,3R,4S)-
  • 2H-Pyrrole-2-acetic acid, 5-carboxy-4-((5-((dimethylamino)carbonyl)-3-pyrrolidinyl)thio)-3,4-dihydro-alpha-(1-hydroxyethyl)-3-methyl-
  • 2H-Pyrrole-2-acetic acid, 5-carboxy-4-((5-((dimethylamino)carbonyl)-3-pyrrolidinyl)thio)-3,4-dihydro-alpha-(1-hydroxyethyl)-3-methyl-, (2S-(2alpha(R*),3alpha,4beta(3R*,5R*)))-

Registry Numbers

CAS Registry Number

  • 124190-28-9

FDA UNII

  • 9H9WBH911Y

Other Registry Numbers

  • 150432-37-4
  • 178483-83-5

System Generated Number

  • 0124190289

Structure Descriptors

InChI

1S/C17H27N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h7-12,14,18,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t7-,8-,9+,10+,11-,12-,14+/m1/s1

InChIKey

CDYPSIIDXKMBLV-CFINEGTKSA-N

Smiles

C[C@@H](O)[C@H]([C@@H]1N=C([C@@H](S[C@@H]2CN[C@@H](C2)C(=O)N(C)C)[C@@H]1C)C(=O)O)C(=O)O