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Allobarbital

Allobarbital structure

CAS No:
52-43-7
Formula:
C10H12N2O3
Chemical Name:
Allobarbital
Synonyms:
2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-di-2-propen-1-yl-;Barbituric acid,5,5-diallyl-;2,4,6(1H,3H,5H)-Pyrimidinetrione,5,5-di-2-propenyl-;5,5-Di-2-propen-1-yl-2,4,6(1H,3H,5H)-pyrimidinetrione;Allobarbital;Allobarbitone;Alnox;Barballyl;Barbidal;Curral;Diadol;Dial;Diallylbarbituric acid;5,5-Diallylbarbituric acid;Diallymal;Dorm;Dormallyl;Malil;Malilum;Diallylbarbital;Dial (barbiturate);Allylbarbitural;Novallyl;NSC 9324;5,5-Diallylpyrimidine-2,4,6-trione
Categories:
Active Pharmaceutical Ingredients > Nervous System Drugs

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Description

Allobarbital is a member of barbiturates.

Allobarbital Basic Attributes

Molecular Weight：

208.21

Exact Mass：

208.21

EC Number：

200-140-4

UNII：

8NT43GG2HA

NSC Number：

9324

DSSTox ID：

DTXSID9022572

ATC Code：

N - Nervous system

Characteristics

PSA：

75.3

XLogP3：

1.14860

Density：

1.2420 (rough estimate)

Melting Point：

172 °C

Boiling Point：

347.41°C (rough estimate)

Refractive Index：

1.4830 (estimate)

Water Solubility：

1.77g/L(25 ºC)

Storage Conditions：

2-8°C

Toxicity：

Peritoneal-rat LD50: 127 mg/kg; peritoneal-mouse LD50: 85 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

UN 2811 6.1/PG 3

wgk germany：

hazard class code：

safety instructions：

RTECS Number：

CQ3325000

Marks：

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Precautionary statement(s)：

P264, P270, P301+P310, P321, P330, P405, P501

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (97.67%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 43 companies from 3 notifications to the ECHA C&L Inventory.

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH Entry Terms：

5,5-diallylbarbituric acid

Allobarbital Use and Manufacturing

Uses

Allobarbital is a barbiturate derivative that is primarily used as an anticonvulsant. Allobarbital also shows hypnotic activity and is used to boost the activity of analgesic drugs. Studies show that Allobarbital is an effective promoters of hepatocarcinogenesis. Allobarbital is a Controlled Substance.

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:208.21
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:208.08479225
Monoisotopic Mass:208.08479225
Topological Polar Surface Area:75.3
Heavy Atom Count:15
Complexity:315
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes