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Substance Name: Ro 41-1879
RN: 141916-35-0
InChIKey: ICWNCYCRRBDGIZ-BNSRUKJOSA-M

Note

  • A 7'-catechol-substituted cephalosporin.

Molecular Formula

  • C31-H30-N12-O10-S3.Na

Molecular Weight

  • 848.832
 
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Names and Synonyms

Name of Substance

  • Ro 41-1879

Synonym

  • Ro-41-1879

Systematic Name

  • 5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(((2-(aminocarbonyl)-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)thio)methyl)-7-(((2-amino-4-thiazolyl)((2-(2-(3,4-dihydroxybenzoyl)hydrazino)-1,1-dimethyl-2-oxoethoxy)imino)acetyl)amino)-8-oxo-, monosodium salt, (6R-(6alpha,7beta(Z)))-

Registry Numbers

CAS Registry Number

  • 141916-35-0

System Generated Number

  • 0141916350

Molecular Formulas

Molecular Formula

  • C31-H30-N12-O10-S3.Na

Molecular Formula Fragments

  • C31-H30-N12-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H30N12O10S3.Na/c1-11-6-17(43-30(34-11)37-22(40-43)21(32)46)54-8-13-9-55-26-19(25(49)42(26)20(13)27(50)51)36-24(48)18(14-10-56-29(33)35-14)41-53-31(2,3)28(52)39-38-23(47)12-4-5-15(44)16(45)7-12;/h4-7,10,19,26,44-45H,8-9H2,1-3H3,(H2,32,46)(H2,33,35)(H,36,48)(H,38,47)(H,39,52)(H,50,51);/q;+1/p-1/b41-18+;/t19-,26-;/m1./s1

InChIKey

ICWNCYCRRBDGIZ-BNSRUKJOSA-M

Smiles

[Na+].N12C(=C(CS[C@@H]2[C@@H](C1=O)NC(=O)\C(=N\OC(C(=O)NNC(c1cc(c(cc1)O)O)=O)(C)C)c1nc(sc1)N)CSc1cc(nc2n1nc(n2)C(=O)N)C)C(=O)[O-]