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Substance Name: 1-Butanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(4-(diethylamino)-, dihydrochloride
RN: 37771-04-3
InChIKey: PVEPXSMPEVCRLV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H40-N2-O2-S.2Cl-H

Molecular Weight

  • 553.635
 
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Names and Synonyms

Synonym

  • 1,1'-(9H-Thioxanthene-2,7-diyl)bis(4-(diethylamino))-1-butanone dihydrochloride

Systematic Name

  • 1-Butanone, 1,1'-(9H-thioxanthene-2,7-diyl)bis(4-(diethylamino)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 37771-04-3

System Generated Number

  • 0037771043

Molecular Formulas

Molecular Formula

  • C29-H40-N2-O2-S.2Cl-H

Molecular Formula Fragments

  • C29-H40-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H40N2O2S.2ClH/c1-5-30(6-2)17-9-11-26(32)22-13-15-28-24(19-22)21-25-20-23(14-16-29(25)34-28)27(33)12-10-18-31(7-3)8-4;;/h13-16,19-20H,5-12,17-18,21H2,1-4H3;2*1H

InChIKey

PVEPXSMPEVCRLV-UHFFFAOYSA-N

Smiles

c12c(Sc3ccc(cc3C1)C(CCC[NH+](CC)CC)=O)ccc(c2)C(CCC[NH+](CC)CC)=O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 1142, 1976.