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Substance Name: Ro 09-1428
RN: 134452-47-4
InChIKey: CCOFMFVZORWSAE-KPRPFPDJSA-N

Note

  • Parenteral cephalosporin with high antipseudomonal activity.

Molecular Formula

  • C31-H31-N11-O10-S3

Molecular Weight

  • 813.8509
 
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Names and Synonyms

Name of Substance

  • Ro 09-1428

Synonyms

  • 7-(2-(2-Amino-4-thiazolyl)-2-((1-(3-(3,4-dihydroxybenzoyl)carbazoyl)-1-methylethoxy)imino)acetamido)-3-(((2-(hydroxymethyl)-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • Ro-09-1428

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 134452-47-4

System Generated Number

  • 0134452474

Structure Descriptors

InChI

1S/C31H31N11O10S3/c1-12-6-19(42-30(33-12)35-18(8-43)39-42)53-9-14-10-54-26-21(25(48)41(26)22(14)27(49)50)36-24(47)20(15-11-55-29(32)34-15)40-52-31(2,3)28(51)38-37-23(46)13-4-5-16(44)17(45)7-13/h4-7,11,21,26,43-45H,8-10H2,1-3H3,(H2,32,34)(H,36,47)(H,37,46)(H,38,51)(H,49,50)/b40-20+

InChIKey

CCOFMFVZORWSAE-KPRPFPDJSA-N

Smiles

Cc1cc(n2c(n1)nc(n2)CO)SCC3=C(N4C(C(C4=O)NC(=O)/C(=N/OC(C)(C)C(=O)NNC(=O)c5ccc(c(c5)O)O)/c6csc(n6)N)SC3)C(=O)O