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Substance Name: Mercaptomerin [INN:BAN]
RN: 20223-84-1
UNII: 58TLO7I2HN
InChIKey: JGMQLDDGSMLGDU-UHFFFAOYSA-M

Classification Code

  • Mutation Data

Molecular Formula

  • C16-H25-Hg-N-O6-S.2H

Molecular Weight

  • 562.046
 
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Names and Synonyms

Results Name

  • Mercaptomerin [INN:BAN]

Name of Substance

  • Mercaptomerin
  • Mercaptomerin [INN:BAN]

Synonyms

  • Acetic acid, mercapto-, mercury complex
  • Cyclopentanecarboxylic acid, 3-(((2-methoxypropyl)amino)carbonyl)-1,2,2-trimethyl-, mercury complex
  • HSDB 3356
  • Mercaptomerin
  • Mercaptomerina
  • Mercaptomerina [INN-Spanish]
  • Mercaptomerine
  • Mercaptomerine [INN-French]
  • Mercaptomerinum
  • Mercaptomerinum [INN-Latin]
  • Mercurate(2-), (3-(((3-carboxylato-2,2,3-trimethylcyclopentyl)carbonyl)amino)-2-methoxypropyl)(mercaptoacetato(2-)-O,S)-, dihydrogen, (T-4)-
  • Mercury, (3-(3-carboxy-2,2,3-trimethylcyclopentanecarboxamido)-2-methoxypropyl)(hydrogen mercaptoacetato)-
  • N-(gamma-Carboxymethyl-mercapto-mercuri-beta methoxy)propyl camphoramic acid
  • Thiomerin
  • UNII-58TLO7I2HN

Systematic Names

  • Mercurate(2-), (3-(((3-carboxylato-2,2,3-trimethylcyclopentyl)carbonyl)amino)-2-methoxypropyl)((mercapto-kappaS)acetato(2-)-kappaO)-, dihydrogen, (T-4)-
  • Mercury, (3-(3-carboxy-2,2,3-trimethylcyclopentanecarboxamido)-2-methoxypropyl)(hydrogen mercaptoacetato)-

Registry Numbers

CAS Registry Number

  • 20223-84-1

FDA UNII

  • 58TLO7I2HN

Related Registry Number

  • 21259-76-7 (di-hydrochloride salt)

System Generated Number

  • 0020223841

Molecular Formulas

Molecular Formula

  • C16-H25-Hg-N-O6-S.2H

Molecular Formula Fragments

  • C16-H25-Hg-N-O6-S
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C14H24NO4.C2H4O2S.Hg/c1-9(19-5)8-15-11(16)10-6-7-14(4,12(17)18)13(10,2)3;3-2(4)1-5;/h9-10H,1,6-8H2,2-5H3,(H,15,16)(H,17,18);5H,1H2,(H,3,4);/q;;+1/p-1

InChIKey

JGMQLDDGSMLGDU-UHFFFAOYSA-M

Smiles

C1([C@@H](CC[C@@]1(C([O-])=O)C)C(NC[C@@H](C[Hg+])OC)=O)(C)C.C(C([O-])=O)[S-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intravenous 22417ug/kg (22.417mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 74, Pg. 511, 1950.
rat LDLo subcutaneous 18670ug/kg (18.67mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 74, Pg. 511, 1950.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -0.210 (none)   EST
Water Solubility 434 mg/L 25 EST
Vapor Pressure 8.62E-14 mm Hg 25 EST
Henry's Law Constant 1.47E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-10 cm3/molecule-sec 25 EST

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