|
|
Substance Name: Aprobarbital [INN:DCF:NF]
RN: 77-02-1
UNII: Q0YKG9L6RF
InChIKey: UORJNBVJVRLXMQ-UHFFFAOYSA-N
Molecular Formula
- C10-H14-N2-O3
Molecular Weight
- 210.232
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Code
- Drug / Therapeutic Agent
Superlist Classification Code
- DEA Schedule III
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- Allylpropymal
- Aprobarbital
- Aprobarbital [INN:DCF:NF]
Synonyms
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-
- 5-(1-Methylethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- 5-24-09-00224 (Beilstein Handbook Reference)
- 5-Allyl-5-isopropylbarbiturate
- 5-Allyl-5-isopropylbarbituric acid
- 5-Isopropyl-5-allylbarbituric acid
- Allional
- Allonal
- Allylisopropylbarbituric acid
- Allylisopropylmalonylurea
- Allylpropymal
- Allypropymal
- Allypropymalum
- Alurate
- Alurate elixir verdum
- Aprobarbita
- Aprobarbital
- Aprobarbitale
- Aprobarbitale [DCIT]
- Aprobarbitalum
- Aprobarbitalum [INN-Latin]
- Aprobarbitone
- Aprozal
- Barbituric acid, 5-allyl-5-isopropyl-
- BRN 0180858
- CCRIS 7088
- EINECS 200-997-4
- HSDB 3290
- Isonal
- Isonal (swedish)
- Isopropylallylbarbituric acid
- NSC 120769
- Numal
- UNII-Q0YKG9L6RF
Systematic Names
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-
- 5-Allyl-5-isopropylbarbituric acid
- Aprobarbital
- Barbituric acid, 5-allyl-5-isopropyl-
Superlist Names
- Alurate
- Aprobarbital
- DEA No. 2100
Registry Numbers
CAS Registry Number
- 77-02-1
FDA UNII
- Q0YKG9L6RF
Related Registry Number
- 125-88-2 (mono-hydrochloride salt)
System Generated Number
- 0000077021
Structure Descriptors
InChI
InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15)InChIKey
UORJNBVJVRLXMQ-UHFFFAOYSA-NSmiles
CC(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 200mg/kg (200mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 12, Pg. 389, 1962. | |
mouse | LD50 | subcutaneous | 350mg/kg (350mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 25, 1958. | |
rabbit | LDLo | intraperitoneal | 90mg/kg (90mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932. | |
rabbit | LDLo | oral | 160mg/kg (160mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932. | |
rat | LDLo | intraperitoneal | 100mg/kg (100mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 44, Pg. 325, 1932. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 141 | deg C | EXP | |
pKa Dissociation Constant | 7.99 | (none) | 25 | EXP |
log P (octanol-water) | 1.15 | (none) | EXP | |
Water Solubility | 4080 | mg/L | 25 | EXP |
Vapor Pressure | 5.31E-11 | mm Hg | 25 | EST |
Henry's Law Constant | 4.74E-13 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 3.98E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.