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Substance Name: Metosulam [ISO]
RN: 139528-85-1
UNII: 38SY84A64X
InChIKey: VGHPMIFEKOFHHQ-UHFFFAOYSA-N

Molecular Formula

  • C14-H13-Cl2-N5-O4-S

Molecular Weight

  • 418.26
 
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Names and Synonyms

Results Name

  • Metosulam [ISO]

Name of Substance

  • Metosulam
  • Metosulam [ISO]

Synonyms

  • Metosulam
  • N-(2,6-Dichloro-3-methylphenyl)-5,7-dimethoxy-1,2,4-triazolo-(1,5a)-pyrimidine-2-sulfonamide
  • UNII-38SY84A64X

Systematic Name

  • (1,2,4)Triazolo(1,5-a)pyrimidine-2-sulfonamide, N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-

Registry Numbers

CAS Registry Number

  • 139528-85-1

FDA UNII

  • 38SY84A64X

System Generated Number

  • 0139528851

Structure Descriptors

InChI

1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3

InChIKey

VGHPMIFEKOFHHQ-UHFFFAOYSA-N

Smiles

COc1cc(OC)n2nc(S(=O)(=O)Nc3c(Cl)c(C)ccc3Cl)nc2n1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 211 deg C   EXP
pKa Dissociation Constant 4.8 (none)   EXP
log P (octanol-water) 3.08 (none)   EXP
Water Solubility 200 mg/L 20 EXP
Atmospheric OH Rate Constant 1.33E-11 cm3/molecule-sec 25 EST

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