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Substance Name: Oxmetidine [INN:BAN]
RN: 72830-39-8
UNII: Z504D030RF
InChIKey: YTBDPHYVGACIPC-UHFFFAOYSA-N

Note

  • Specific histamine H2 receptor antagonist with MW around 1.8 times that of cimetidine; differs from cimetidine by carrying an isocytosine ring instead of a cyanoguanidine in side chain.

Molecular Formula

  • C19-H21-N5-O3-S

Molecular Weight

  • 399.473
 

Classification Codes

  • Anti-Ulcer Agents
  • Drug / Therapeutic Agent
  • Gastrointestinal Agents
  • Histamine Agents
  • Histamine Antagonists
  • Histamine H2 Antagonists
  • Neurotransmitter Agents
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Names and Synonyms

Results Name

  • Oxmetidine [INN:BAN]

Name of Substance

  • Oxmetidine
  • Oxmetidine [INN:BAN]

Synonyms

  • 2-(2-(5-Methyl-4-imidazolylmethylthio)ethyl)amino-5-piperonyl-4-(1H)-pyrimidinon
  • BRN 1053269
  • EINECS 276-926-6
  • Oxmetidina
  • Oxmetidina [INN-Spanish]
  • Oxmetidine
  • Oxmetidinum
  • Oxmetidinum [INN-Latin]
  • SKF 92994
  • UNII-Z504D030RF

Systematic Names

  • 4(1H)-Pyrimidinone, 5-(1,3-benzodioxol-5-ylmethyl)-2-((2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)ethyl)amino)-
  • Oxmetidine
  • SKF 92994

Registry Numbers

CAS Registry Number

  • 72830-39-8

FDA UNII

  • Z504D030RF

Related Registry Number

  • 63204-23-9 (di-hydrochloride)

System Generated Number

  • 0072830398

Structure Descriptors

InChI

1S/C19H21N5O3S/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25)

InChIKey

YTBDPHYVGACIPC-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)Cc1c(nc(NCCSCc3nc[nH]c3C)[nH]c1)=O)OCO2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 104mg/kg (104mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 24, Pg. 65, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.11 (none)   EXP
Water Solubility 48.7 mg/L 25 EST
Vapor Pressure 1.02E-17 mm Hg 25 EST
Henry's Law Constant 1.73E-23 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.76E-10 cm3/molecule-sec 25 EST

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