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Substance Name: Urea, 1-(1-adamantyl)-3-((p-(2-(7-bromo-3,4-dihydro-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)phenyl)sulfonyl)-, sodium salt
RN: 34723-70-1
InChIKey: OMPDVPOHUHSOLX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H34-Br-N3-O5-S.Na

Molecular Weight

  • 651.575
 
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Names and Synonyms

  • Urea, 1-(1-adamantyl)-3-((p-(2-(7-bromo-3,4-dihydro-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)phenyl)sulfonyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 34723-70-1

System Generated Number

  • 0034723701

Molecular Formulas

Molecular Formula

  • C30-H34-Br-N3-O5-S.Na

Molecular Formula Fragments

  • C30-H34-Br-N3-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H34BrN3O5S.Na/c1-29(2)25-8-5-22(31)14-24(25)26(35)34(27(29)36)10-9-18-3-6-23(7-4-18)40(38,39)33-28(37)32-30-15-19-11-20(16-30)13-21(12-19)17-30;/h3-8,14,19-21H,9-13,15-17H2,1-2H3,(H2,32,33,37);/q;+1

InChIKey

OMPDVPOHUHSOLX-UHFFFAOYSA-N

Smiles

C1C2CC3(CC(C2)CC1C3)NC(=O)NS(=O)(=O)c1ccc(cc1)CCN1C(C(c2c(C1=O)cc(cc2)Br)(C)C)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 191mg/kg (191mg/kg)   United States Patent Document. Vol. #3708486,
mouse LD50 oral > 2500mg/kg (2500mg/kg)   United States Patent Document. Vol. #3708486,