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Basic Information
| CAS No.: | 76-75-5 |
|---|---|
| Name: | (+/-)-THIOPENTAL |
| Molecular Structure: | |
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|
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| Formula: | C11H18 N2 O2 S |
| Molecular Weight: | 242.342 |
| Synonyms: | Barbituricacid, 5-ethyl-5-(1-methylbutyl)-2-thio- (8CI); (?à)-Thiopental; 2-Thio-5-ethyl-5-sec-pentylbarbituricacid; 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid; Intraval;Penthiobarbital; Pentothiobarbital; Thiomebumal; Thionembutal; Thiopental;Thiopentobarbital; Thiopentobarbitone; Thiopentobarbituric acid; Thiopentone;Thiothal |
| Density: | 1.16g/cm3 |
| Melting Point: | 158-160°C |
| Flash Point: | 11℃ |
| Solubility: | 50mg/L(25 oC) |
| Appearance: | Off-White Solid |
| Hazard Symbols: | Xn,T,F |
| Risk Codes: | 22-39/23/24/25-23/24/25-11 |
| Safety: | 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. See also PENTOTHAL SODIUM and BARBITURATES. |
| PSA: | 90.29000 |
| LogP: | 2.00750 |
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Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| Stage #1: nembutal With hydrogenchloride In dichloromethane at 20℃; for 0.166667h; Stage #2: With Lawessons reagent; methoxybenzene for 150h; Reflux; | 20% |
- 91334-59-7
5-ethyl-6-amino-5-(1-methyl-butyl)-2-thioxo-3,5-dihydro-2H-pyrimidin-4-one
- 76-75-5
thiopentone
Conditions
| Conditions | Yield |
|---|---|
| With sulfuric acid | |
| With sulfuric acid |
- 76-74-4
pentobarbital
A
- 76-75-5
thiopentone
B
- 134302-74-2
5-ethyl-5-(1-methylbutyl)-2,4-dithiobarbitursaeure
Conditions
| Conditions | Yield |
|---|---|
| With P4S10*4Py In chlorobenzene for 1h; Heating; Yield given. Yields of byproduct given; |
- 76-75-5
thiopentone
Conditions
| Conditions | Yield |
|---|---|
| With tetraphosphorus decasulfide; potassium polysulfide; xylene |
Conditions
| Conditions | Yield |
|---|---|
| With sodium ethanolate |
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium ethylate; ethanol 3: aqueous H2SO4 View Scheme | |
| Multi-step reaction with 4 steps 1: sodium ethylate; ethanol 2: sodium ethylate; ethanol 4: aqueous H2SO4 View Scheme |
- 100400-64-4
2-ethyl-2-cyano-3-methyl-hexanoic acid methyl ester
- 76-75-5
thiopentone
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 2: aqueous H2SO4 View Scheme |
- 19823-28-0
2-cyano-3-methyl-hexanoic acid ethyl ester
- 76-75-5
thiopentone
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium ethylate; ethanol 3: aqueous H2SO4 View Scheme |
- 100453-11-0
2-ethyl-2-cyano-3-methyl-hexanoic acid ethyl ester
- 76-75-5
thiopentone
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 2: aqueous H2SO4 View Scheme |
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium ethylate; ethanol 3: aqueous H2SO4 View Scheme |
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(+/-)-THIOPENTAL
Chemistry
MF: C11H18N2O2S
MW: 242.34
EINECS: 200-984-3
PENTOTHAL,it's melting point is 158-160°C,It's appearance is Off-White Solid.
Following is the molecular structure of PENTOTHAL:
MW: 242.34
EINECS: 200-984-3
PENTOTHAL,it's melting point is 158-160°C,It's appearance is Off-White Solid.
Following is the molecular structure of PENTOTHAL:
Toxicity Data With Reference
| 1. | cyt-hmn:leu 1500 mg/L | TGANAK Tsitologiya i Genetika. 18 (1)(1984),13. | ||
| 2. | ipr-rat LD50:120 mg/kg | 27ZIAQ Drug Dosages in Laboratory Animals-A Handbook C.D. Barnes andL.G. Eltherington,Berkeley, CA.: Univ. of California Press,1965,260. | ||
| 3. | ivn-rat LD50:64 mg/kg | PSEBAA Proceedings of the Society for Experimental Biology and Medicine. 89 (1955),292. | ||
| 4. | orl-mus LD50:600 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 1 (1946),215. | ||
| 5. | ipr-mus LD50:110 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 128 (1960),391. | ||
| 6. | ivn-mus LD50:70 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 4 (1954),441. | ||
| 7. | orl-rbt LDLo:600 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 60 (1937),189. | ||
| 8. | rec-rbt LDLo:110 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 60 (1937),189. |
RTECS : CQ6300000
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. See also PENTOTHAL SODIUM and BARBITURATES.
Hazard Codes : Xn (Harmful)
Risk Statements :22 (Harmful if swallowed)
Safety Statements :36/37/39 (Wear suitable protective clothing, gloves and eye/face protection)
RIDADR : UN 1230 3/PG 2
Hazard Codes : Xn (Harmful)
Risk Statements :22 (Harmful if swallowed)
Safety Statements :36/37/39 (Wear suitable protective clothing, gloves and eye/face protection)
RIDADR : UN 1230 3/PG 2