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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
- All
- Classifications
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- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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-NSmiles
CCOC(=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.