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Substance Name: Carbocloral [USAN:INN:BAN]
RN: 541-79-7
UNII: K0KA807799
InChIKey: ITMSAWKLJVGBIT-UHFFFAOYSA-N

Note

  • From aerial parts of Delphinium uralense nevski.

Molecular Formula

  • C5-H8-Cl3-N-O3

Molecular Weight

  • 236.4812
 

Classification Codes

  • Drug / Therapeutic Agent
  • Hypnotic
  • Sedative-Hypnotic
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Names and Synonyms

Name of Substance

  • Carbocloral [USAN:INN:BAN]

Synonyms

  • (2,2,2-Trichloro-1-hydroxyethyl)carbamic acid ethyl ester
  • 3-03-00-00047 (Beilstein Handbook Reference)
  • 9462
  • AI3-02395
  • BRN 1812588
  • Carbochloral
  • Carbocloral
  • Carbocloralum
  • Carbocloralum [INN-Latin]
  • Chloralurethane
  • CI 336
  • CI-336
  • CN 161467
  • CN-16146
  • CN-161467
  • Ethyl (2,2,2-trichloro-1-hydroxyethyl)carbamate
  • Ethyl N-(1-hydroxy-2-trichloroethyl)carbamate
  • HY 185
  • HY-185
  • NSC 33077
  • Prodorm
  • UNII-K0KA807799
  • Ural
  • Uraline
  • Uralium

Systematic Name

  • Carbamic acid, (2,2,2-trichloro-1-hydroxyethyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 541-79-7

FDA UNII

  • K0KA807799

System Generated Number

  • 0000541797

Structure Descriptors

InChI

1S/C5H8Cl3NO3/c1-2-12-4(11)9-3(10)5(6,7)8/h3,10H,2H2,1H3,(H,9,11)

InChIKey

ITMSAWKLJVGBIT-UHFFFAOYSA-N

Smiles

CCOC(=O)NC(C(Cl)(Cl)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 1500mg/kg (1500mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) Journal of Pharmacology and Experimental Therapeutics. Vol. 121, Pg. 136, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.84 (none)   EXP
Water Solubility 753 mg/L 25 EST
Vapor Pressure 3.25E-04 mm Hg 25 EST
Henry's Law Constant 4.88E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.30E-12 cm3/molecule-sec 25 EST

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