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Substance Name: Secnidazole [USAN:INN:BAN:DCF]
RN: 3366-95-8
UNII: R3459K699K
InChIKey: KPQZUUQMTUIKBP-UHFFFAOYSA-N

Classification Codes

  • Anti-Infective Agents
  • Antiparasitic Agents
  • Antiprotozoal Agents
  • Treatment of Bacterial Vaginosis

Molecular Formula

  • C7-H11-N3-O3

Molecular Weight

  • 185.1819
 
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Names and Synonyms

Name of Substance

  • Secnidazole
  • Secnidazole [USAN:INN:BAN:DCF]

Synonyms

  • 1-(2-Hydroxypropyl)-2-methyl-5-nitroimidazol
  • 1-(2-Methyl-5-nitro-1-imidazolyl)-2-propanol
  • EINECS 222-134-0
  • PM 185184
  • PM-185184
  • RP 14539
  • Secnidazol
  • Secnidazol [INN-Spanish]
  • Secnidazole
  • Secnidazolum
  • Secnidazolum [INN-Latin]
  • Solosec
  • SYM 1219
  • SYM-1219
  • UNII-R3459K699K

Systematic Names

  • alpha,2-Dimethyl-5-nitroimidazole-1-ethanol
  • Imidazole-1-ethanol, alpha,2-dimethyl-5-nitro-
  • Secnidazole

Registry Numbers

CAS Registry Number

  • 3366-95-8

FDA UNII

  • R3459K699K

System Generated Number

  • 0003366958

Structure Descriptors

InChI

1S/C7H11N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3,5,11H,4H2,1-2H3

InChIKey

KPQZUUQMTUIKBP-UHFFFAOYSA-N

Smiles

Cc1ncc(n1CC(C)O)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 76 deg C   EXP
log P (octanol-water) 0.22 (none)   EXP
Water Solubility 1.37E+04 mg/L 25 EST
Vapor Pressure 2.91E-07 mm Hg 25 EST
Henry's Law Constant 2.25E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.38E-11 cm3/molecule-sec 25 EST

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