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Substance Name: Terphenylthioacetyl-seco-hemicholinium-3
RN: 73216-03-2
InChIKey: ZGECELJTUFFLKJ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H42-N2-O4-S2.2Br

Molecular Weight

  • 766.6558
 
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Names and Synonyms

Results Name

  • Terphenylthioacetyl-seco-hemicholinium-3

Synonyms

  • Terphenyl thio-Achc-3
  • Terphenylthioacetyl-seco-hemicholinium-3

Systematic Name

  • Ammonium, (p-terphenyl-4,4''-ylene)bis(2-oxoethylene)bis((2-mercaptoethyl)dimethyl-, dibromide, dithioacetate

Registry Numbers

CAS Registry Number

  • 73216-03-2

System Generated Number

  • 0073216032

Molecular Formulas

Molecular Formula

  • C34-H42-N2-O4-S2.2Br

Molecular Formula Fragments

  • Br
  • C34-H42-N2-O4-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C34H42N2O4S2.2BrH/c1-25(37)41-21-19-35(3,4)23-33(39)31-15-11-29(12-16-31)27-7-9-28(10-8-27)30-13-17-32(18-14-30)34(40)24-36(5,6)20-22-42-26(2)38;;/h7-18H,19-24H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

ZGECELJTUFFLKJ-UHFFFAOYSA-L

Smiles

CC(=O)SCC[N+](C)(C)CC(=O)c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)C(=O)C[N+](C)(C)CCSC(=O)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3050ug/kg (3.05mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 541, 1980.