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Substance Name: 2-Anthracenecarboxamide, 9,10-dihydro-19,10-dioxo-N-(((2-(1-(phenylmethyl)-4-piperidinyl)ethyl)amino)thioxomethyl)-, monohydrochloride
RN: 145232-74-2
InChIKey: ISLLYCCLWQDGTK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H29-N3-O3-S.Cl-H

Molecular Weight

  • 548.104
 
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Names and Synonyms

  • 2-Anthracenecarboxamide, 9,10-dihydro-19,10-dioxo-N-(((2-(1-(phenylmethyl)-4-piperidinyl)ethyl)amino)thioxomethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 145232-74-2

System Generated Number

  • 0145232742

Molecular Formulas

Molecular Formula

  • C30-H29-N3-O3-S.Cl-H

Molecular Formula Fragments

  • C30-H29-N3-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H29N3O3S.ClH/c34-27-23-8-4-5-9-24(23)28(35)26-18-22(10-11-25(26)27)29(36)32-30(37)31-15-12-20-13-16-33(17-14-20)19-21-6-2-1-3-7-21;/h1-11,18,20H,12-17,19H2,(H2,31,32,36,37);1H

InChIKey

ISLLYCCLWQDGTK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN2CCC(CC2)CCNC(=S)NC(=O)c3ccc4c(c3)C(=O)c5ccccc5C4=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 30mg/kg (30mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 689, 1994.