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Substance Name: Indocillin sodium
RN: 196309-78-1
InChIKey: MDATUXJELWDAGV-ZBXLSASTSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H25-Cl-N3-O6-S.Na

Molecular Weight

  • 578.0185
 
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Names and Synonyms

Results Name

  • Indocillin sodium

Synonyms

  • (1-(p-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl-methyl)penicillin sodium
  • Indocillin sodium

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetyl)amino)-3,3-dimethyl-7-oxo-, monosodium salt, (2S-(2-alpha,5-alpha,6-beta))-

Registry Numbers

CAS Registry Number

  • 196309-78-1

System Generated Number

  • 0196309781

Molecular Formulas

Molecular Formula

  • C27-H25-Cl-N3-O6-S.Na

Molecular Formula Fragments

  • C27-H25-Cl-N3-O6-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C27H26ClN3O6S.Na/c1-13-17(12-20(32)29-21-24(34)31-22(26(35)36)27(2,3)38-25(21)31)18-11-16(37-4)9-10-19(18)30(13)23(33)14-5-7-15(28)8-6-14;/h5-11,21-22,25H,12H2,1-4H3,(H,29,32)(H,35,36);/q;+1/p-1/t21-,22+,25-;/m1./s1

InChIKey

MDATUXJELWDAGV-ZBXLSASTSA-M

Smiles

Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)N[C@H]4[C@@H]5N(C4=O)[C@H](C(S5)(C)C)C(=O)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 1371mg/kg (1371mg/kg)   Pharmaceutical Sciences. Vol. 3, Pg. 203, 1997.