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Substance Name: Glypinamide [INN]
RN: 1228-19-9
UNII: ORE084U8IP
InChIKey: RHQSNARBXHRBNP-UHFFFAOYSA-N

Molecular Formula

  • C13-H18-Cl-N3-O3-S

Molecular Weight

  • 331.8222
 
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Names and Synonyms

Name of Substance

  • Glypinamide [INN]

Synonyms

  • 1-((p-Chlorophenyl)sulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea
  • Glypinamide
  • NSC 70737
  • UNII-ORE084U8IP

Systematic Name

  • 1-((p-Chlorophenyl)-sulfonyl)-3-(hexahydro-1H-azepin-1-yl)urea.

Registry Numbers

CAS Registry Number

  • 1228-19-9

FDA UNII

  • ORE084U8IP

System Generated Number

  • 0001228199

Structure Descriptors

InChI

1S/C13H18ClN3O3S/c14-11-5-7-12(8-6-11)21(19,20)16-13(18)15-17-9-3-1-2-4-10-17/h5-8H,1-4,9-10H2,(H2,15,16,18)

InChIKey

RHQSNARBXHRBNP-UHFFFAOYSA-N

Smiles

c1cc(ccc1S(=O)(=O)NC(=O)NN2CCCCCC2)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.64 (none)   EXP
Water Solubility 317 mg/L 25 EST
Vapor Pressure 6.49E-10 mm Hg 25 EST
Henry's Law Constant 9.12E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.93E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.