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Substance Name: Citiolone [INN:DCF]
RN: 1195-16-0
UNII: 70JKL15MUH
InChIKey: NRFJZTXWLKPZAV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H9-N-O2-S

Molecular Weight

  • 159.208
 
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Names and Synonyms

Name of Substance

  • Citiolone
  • Citiolone [INN:DCF]

Synonyms

  • 2-Acetamido-4-mercaptobutyric acid thiolactone
  • 5-18-11-00320 (Beilstein Handbook Reference)
  • Achtl
  • AHCT
  • Ahctl
  • alpha-Acetamido-gamma-thiobutyrolactone
  • BO 714
  • BRN 0004338
  • Citiolase
  • Citiolona
  • Citiolona [INN-Spanish]
  • Citiolone
  • Citiolonum
  • Citiolonum [INN-Latin]
  • EINECS 214-793-8
  • EINECS 241-841-5
  • Mucorex
  • N-(Tetrahydro-2-oxo-3-thienyl)acetamide
  • N-Acetyl-DL-homocystein thiolacton
  • N-Acetylhomocysteine thiolactone
  • N-Acetylhomocysteinthiolakton
  • N-Acetylhomocysteinthiolakton [German]
  • NSC 22878
  • Sitilon
  • Thioxidrene
  • UNII-70JKL15MUH

Systematic Names

  • (1)-N-(Tetrahydro-2-oxothien-3-yl)acetamide
  • Acetamide, N-(tetrahydro-2-oxo-3-thienyl)-
  • N-(Tetrahydro-2-oxo-3-thienyl)acetamide
  • N-(Tetrahydro-2-oxothienyl)acetamide

Registry Numbers

CAS Registry Number

  • 1195-16-0

FDA UNII

  • 70JKL15MUH

Other Registry Numbers

  • 17896-21-8
  • 34148-12-4

System Generated Number

  • 0001195160

Structure Descriptors

InChI

1S/C6H9NO2S/c1-4(8)7-5-2-3-10-6(5)9/h5H,2-3H2,1H3,(H,7,8)

InChIKey

NRFJZTXWLKPZAV-UHFFFAOYSA-N

Smiles

C1([C@@H](CCS1)NC(C)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1200mg/kg (1200mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 72, 1958.
rat LD50 intraperitoneal 1950mg/kg (1950mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 362, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 112 deg C   EXP
log P (octanol-water) -0.35 (none)   EXP
Water Solubility 1.37E+05 mg/L 25 EST
Vapor Pressure 3.31E-05 mm Hg 25 EST
Henry's Law Constant 2.43E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.72E-11 cm3/molecule-sec 25 EST

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