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ChemicalBook--->CAS DataBase List--->76-75-5

76-75-5

76-75-5 Structure

76-75-5 Structure
IdentificationMore
[Name]

(+/-)-THIOPENTAL
[CAS]

76-75-5
[Synonyms]

Intraval
Nesdonal
Thiothal
Pentothal
THIOPENTAL
Tiopentale
THIOPENTONE
Thiomebumal
PENTOTHAL ACID
Thiopental CRS
Penthiobarbital
(+/-)-THIOPENTAL
Pentothiobarbital
('+/-)-THIOPENTAL
Thiopentobarbital
Thiopentobarbitone
(±)thiopental solution
Thiopentobarbituric acid
Thiopental CIII (250 mg)
Thiopental for system suitability
(+-)-thiopental methanol solution
Thiopental for system suitability CRS
2-Thio-5-ethyl-5-sec-pentylbarbituric acid
Thiopental for system suitability (Y0001478)
5-ethyl-5-(1-methylbutyl)-2-thio-barbituricaci
5-ETHYL-5-[1-METHYLBUTYL]-2-THIOBARBITURIC ACID
(+,-)-thiopental free acid--dea*schedule iii item
5-Ethyl-5-(1-methylbutyl)-2-thiobarbitirobic acid
Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio-
5-ETHYL-5-PENTAN-2-YL-2-SULFANYL-1H-PYRIMIDINE-4,6-DIONE
Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio- (8CI)
5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
(1h,5h)-pyrimidinedione,5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-6
5-Ethyl-5-(1-methylbutyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
5-Ethyldihydro-5-(1-methylbutyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione
4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-
4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo- (9CI)
5-Ethyl-5-[(S)-1-methylbutyl]-2-thioxo-1,2-dihydropyrimidine-4,6(3H,5H)-dione
[EINECS(EC#)]

200-984-3
[Molecular Formula]

C11H18N2O2S
[MDL Number]

MFCD00057564
[Molecular Weight]

242.34
[MOL File]

76-75-5.mol
Chemical PropertiesBack Directory
[Appearance]

Off-White Solid
[Melting point ]

158-160°C
[density ]

1.1789 (rough estimate)
[refractive index ]

1.5440 (estimate)
[Fp ]

11℃
[storage temp. ]

2-8°C
[solubility ]

ethanol: complete50mg/mL
[form ]

Solid
[pka]

7.11±0.40(Predicted)
[color ]

White to Off-White
[Water Solubility ]

50mg/L(25 ºC)
[Usage]

A thio-derivative of Barbituric acid. Controlled substance (depressant). Anesthetic
[CAS DataBase Reference]

76-75-5(CAS DataBase Reference)
[EPA Substance Registry System]

4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo- (76-75-5)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 1230 3/PG 2
[WGK Germany ]

3
[RTECS ]

CQ6300000
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

2933595960
[Hazardous Substances Data]

76-75-5(Hazardous Substances Data)
[Toxicity]

cyt-hmn:leu 1500 mg/L TGANAK18(1),13,84
Hazard InformationBack Directory
[Chemical Properties]

Off-White Solid
[Originator]

Pentothal,Abbott
[Uses]

A thio-derivative of Barbituric acid. Controlled substance (depressant). Anesthetic
[Definition]

ChEBI: Thiopental is a barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups. It has a role as an anticonvulsant, a sedative, an environmental contaminant, a xenobiotic, a drug allergen and an intravenous anaesthetic. It is functionally related to a 2-thiobarbituric acid. It is a conjugate acid of a thiopental(1-).
[Manufacturing Process]

130 g of ethyl (1-methylbutyl) malonic ester is added to a concentrated solution of sodium ethylate prepared from 34 g of sodium in absolute alcohol; with stirring, 60 g of finely divided thiourea is added, and, the mixture refluxed for 10 hours. Most or all of the solvent is evaporated and the residual mass is dissolved in cold water. The barbituric acid derivative so formed is precipitated by the addition of dilute hydrochloric acid. It may be 1 purified by solution in dilute ammonium hydroxide solution and precipitated by carbon dioxide, followed by recrystallization from 95% alcohol. The ethyl (1- methylbutyl)thiobarbituric acid so obtained is a white crystalline solid, melting at 158-159°C and readily forming salts with alkalies.
[Brand name]

Thiopental is BAN.
[Therapeutic Function]

Narcotic analgesic, Anesthetic
[Safety Profile]

Poison by intraperitoneal, intravenous, and rectal routes. Moderately toxic by ingestion. An experimental teratogen. Human mutation data reported. A short-acting intravenous anesthetic. When heated to decomposition it emits very toxic fumes of NOx and SOx
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

76-75-5(sigmaaldrich)
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