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Substance Name: Urea, 1-(1-adamantyl)-3-((p-(2-(3,4-dihydro-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)phenyl)sulfonyl)-, sodium salt
RN: 34723-64-3
InChIKey: SQOLYFZQJMNLIB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H35-N3-O5-S.Na

Molecular Weight

  • 572.679
 
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Names and Synonyms

  • Benzenesulfonamide, 4-(2-(3,4-dihydro-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolinyl)ethyl)-N-((tricyclo(3.3.1.13,7)dec-1-ylamino)carbonyl)-, monosodium salt
  • Urea, 1-(1-adamantyl)-3-((p-(2-(3,4-dihydro-4,4-dimethyl-1,3-dioxo-2(1H)-isoquinolyl)ethyl)phenyl)sulfonyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 34723-64-3

System Generated Number

  • 0034723643

Molecular Formulas

Molecular Formula

  • C30-H35-N3-O5-S.Na

Molecular Formula Fragments

  • C30-H35-N3-O5-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H35N3O5S.Na/c1-29(2)25-6-4-3-5-24(25)26(34)33(27(29)35)12-11-19-7-9-23(10-8-19)39(37,38)32-28(36)31-30-16-20-13-21(17-30)15-22(14-20)18-30;/h3-10,20-22H,11-18H2,1-2H3,(H2,31,32,36);/q;+1

InChIKey

SQOLYFZQJMNLIB-UHFFFAOYSA-N

Smiles

C1C2CC3(CC(C2)CC1C3)NC(=O)NS(=O)(=O)c1ccc(cc1)CCN1C(C(c2c(C1=O)cccc2)(C)C)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 260mg/kg (260mg/kg)   United States Patent Document. Vol. #3708486,
mouse LD50 oral > 2500mg/kg (2500mg/kg)   United States Patent Document. Vol. #3708486,