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Substance Name: Benzoic acid, 4,4'-((5-chloro-2-thioxo-1H-benzimidazole-1,3(2H)-diyl)bis(methyleneimino)bis-
RN: 91067-24-2
InChIKey: YOXUTDVGGRHXIK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H19-Cl-N4-O4-S

Molecular Weight

  • 482.946
 
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Names and Synonyms

Synonym

  • 4,4'-((5-Chloro-2-thioxo-1H-benzimidazole-1,3(2H)-diyl)bis(methyleneimino)bisbenzoic acid)

Systematic Name

  • Benzoic acid, 4,4'-((5-chloro-2-thioxo-1H-benzimidazole-1,3(2H)-diyl)bis(methyleneimino)bis-

Registry Numbers

CAS Registry Number

  • 91067-24-2

System Generated Number

  • 0091067242

Structure Descriptors

InChI

1S/C23H19ClN4O4S/c24-16-5-10-19-20(11-16)28(13-26-18-8-3-15(4-9-18)22(31)32)23(33)27(19)12-25-17-6-1-14(2-7-17)21(29)30/h1-11,25-26H,12-13H2,(H,29,30)(H,31,32)

InChIKey

YOXUTDVGGRHXIK-UHFFFAOYSA-N

Smiles

c12c(n(CNc3ccc(C(O)=O)cc3)c(n1CNc1ccc(C(O)=O)cc1)=S)ccc(c2)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 464mg/kg (464mg/kg)   Journal of the Indian Chemical Society. Vol. 60, Pg. 1077, 1983.