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Substance Name: Benzamide, N-(1,2-diazabicyclo(3.2.2)non-2-yl)-2-methoxy-5-sulfamoyl-, hemihydrate
RN: 100243-25-2
InChIKey: LBBUZEPJUANZPK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-N4-O4-S.1/2H2-O

Molecular Weight

  • 726.872
 
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Names and Synonyms

Synonym

  • N-(1,2-Diazabicyclo(3.2.2)non-2-yl)-2-methoxy-5-sulfamoylbenzamide hemihydrate

Systematic Name

  • Benzamide, N-(1,2-diazabicyclo(3.2.2)non-2-yl)-2-methoxy-5-sulfamoyl-, hemihydrate

Registry Numbers

CAS Registry Number

  • 100243-25-2

System Generated Number

  • 0100243252

Molecular Formulas

Molecular Formula

  • C15-H21-N4-O4-S.1/2H2-O

Molecular Formula Fragments

  • C15-H21-N4-O4-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C15H22N4O4S.H2O/c2*1-23-14-3-2-12(24(16,21)22)10-13(14)15(20)17-19-9-6-11-4-7-18(19)8-5-11;/h2*2-3,10-11H,4-9H2,1H3,(H,17,20)(H2,16,21,22);1H2

InChIKey

LBBUZEPJUANZPK-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)S(=O)(N)=O)OC)C(N[N@@]1N2CCC(CC1)CC2)=O.c1(c(ccc(c1)S(N)(=O)=O)OC)C(N[N@@]1N2CCC(CC1)CC2)=O.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 193mg/kg (193mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 1482, 1976.