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Substance Name: Ici 194008
RN: 112606-65-2
InChIKey: UTIIUUIQHFQQRL-SEVZJSAHSA-N

Note

  • Semisynthetic aminothiazolyl cephalosporin.

Molecular Weight

  • 660.7542
 
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Names and Synonyms

Name of Substance

  • Ici 194008

Synonym

  • Ici-194008

Systematic Name

  • Thieno(2,3-d)pyrimidinium, 4-(((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)ethylamino)-1-methyl-, hydroxide, inner salt, (6R-(6alpha,7beta(Z)))-

Registry Numbers

CAS Registry Number

  • 112606-65-2

System Generated Number

  • 0112606652

Structure Descriptors

InChI

1S/C26H28N8O7S3/c1-5-33(18-13-6-7-42-21(13)32(4)11-28-18)8-12-9-43-22-16(20(36)34(22)17(12)23(37)38)30-19(35)15(14-10-44-25(27)29-14)31-41-26(2,3)24(39)40/h6-7,10-11,16,22H,5,8-9H2,1-4H3,(H4-,27,29,30,35,37,38,39,40)/b31-15+/t16-,22-/m1/s1

InChIKey

UTIIUUIQHFQQRL-SEVZJSAHSA-N

Smiles

CCN(CC1=C(N2[C@H](SC1)[C@H](NC(=O)\C(=N\OC(C)(C)C(=O)O)\c3csc(N)n3)C2=O)C(=O)[O-])c4nc[n+](C)c5sccc45