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Substance Name: Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis-
RN: 112094-03-8
InChIKey: GOECSLAKSBIVLQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N5-O6-S

Molecular Weight

  • 505.5929
 
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Names and Synonyms

  • Ethanol, 2,2'-((4-((1-(4-(bis(2-hydroxyethyl)amino)-2-butynyl)-5-nitro-1H-benzimidazol-2-yl)thio)-2-butynyl)imino)bis-

Registry Numbers

CAS Registry Number

  • 112094-03-8

System Generated Number

  • 0112094038

Structure Descriptors

InChI

1S/C23H31N5O6S/c29-14-10-25(11-15-30)7-1-2-9-27-22-6-5-20(28(33)34)19-21(22)24-23(27)35-18-4-3-8-26(12-16-31)13-17-32/h5-6,19,29-32H,7-18H2

InChIKey

GOECSLAKSBIVLQ-UHFFFAOYSA-N

Smiles

c1cc2c(cc1[N+](=O)[O-])nc(n2CC#CCN(CCO)CCO)SCC#CCN(CCO)CCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1650mg/kg (1650mg/kg)   Indian Drugs. Vol. 24, Pg. 545, 1987.