Secobarbital | CAS No. 76-73-3

Basic Information

Secobarbital

CAS Number

76-73-3

Molecular Formula

C12H18N2O3

Molecular Weight

238.28 g/mol

Quick Actions

Basic Physical Properties

Melting Point

98°C

Boiling Point

380.88°C (rough estimate)

Density

1.1343 (rough estimate)

Refractive Index

1.4760 (estimate)

SMILES

CCCC(C)C1(C(=O)NC(=O)NC1=O)CC=C

InChI

InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)

InChIKey

KQPKPCNLIDLUMF-UHFFFAOYSA-N

LogP

log Kow = 1.97

Topological Polar Surface Area

75.27000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

343

Classification & Uses

Chemical Classification

Pharmaceutical Products
APIs & Intermediates
Intermediates

Safety Information

Hazard Statement

H225-H301 + H311 + H331-H370

Hazard Class

6.1(b)

Synonyms & References

English

  • 5-ALLYL-5-(1-METHYLBUTYL)BARBITURIC ACID
  • Meballymalum
  • S0223
  • Secobarbital 0.1 mg/ml in Methanol
  • Secobarbitone
  • 5-24-09-00235 (Beilstein Handbook Reference)
  • Quinalbarbital
  • Secobarbital (1.0mg/ml in Methanol)
  • Sodium quinalbarbitone
  • SECOBARBITAL [MART.]
  • Secobarbital, United States Pharmacopeia (USP) Reference Standard
  • Hyptran
  • Hypotrol
  • DB00418
  • Secobarbitale
  • Meballymal
  • CHEMBL447
  • Secobarbital suppository dosage form [DEA No. 2316]
  • Seconal (TN)
  • 5-Allyl-5-(1-methylbutyl)barbiturate
  • EINECS 200-982-2
  • (+-)-Secobarbital
  • 5-Allyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • SECOBARBITAL [WHO-DD]
  • Trisomnin (Salt/Mix)
  • Secobarbital, 1mg/ml in Methanol
  • BARBITURIC ACID, 5-ALLYL-5-(1-METHYLBUTYL)-, (+-)-
  • UNII-1P7H87IN75
  • Secobarbitale [DCIT]
  • Secobarbital cii
  • BRN 0225330
  • CHEBI:9073
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)-
  • NCGC00247712-01
  • (.+/-.))-Secobarbital
  • Hyptran (Salt/Mix)
  • Secobarbital, analytical standard
  • Imesonal (Salt/Mix)
  • (+/-)-Quinalbarbitone
  • HSDB 3182
  • 2,4,6(1H,3H,5H)-Pyrimidinitrione, 5-(1-methylbutyl)-5-(2-propenyl)-
  • SECOBARBITAL [USP IMPURITY]
  • SCHEMBL11110602
  • Immenoctal (Salt/Mix)
  • Secobarbital (USP/INN)
  • Secobarbitalum [INN-Latin]
  • Secobarbital [USP:INN]
  • (RS)-Secobarbital
  • SECOBARBITAL [HSDB]
  • (+/-)-Secobarbital
  • (+-)-5-Allyl-5-(1-methylbutyl)-barbituric acid
  • Secobarbital 1.0 mg/ml in Methanol
  • GTPL7615
  • Secobarbitalum
  • 5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione
  • Barbosec
  • DTXSID6044145
  • 5-(1-Methylbutyl)-5-(2-propen-1-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • DEA No. 2315
  • 5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
  • secobarbital
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-
  • Evronal
  • Secobarbital (1mg/ml in Acetonitrile)
  • 76-73-3
  • D00430
  • 1P7H87IN75
  • SECOBARBITAL [INN]
  • SECOBARBITAL SODIUM FREE ACID [MI]
  • Somosal
  • Q414788
  • SECOBARBITAL [USP-RS]
  • Secobarbital sodium free acid
  • 5-Allyl-5-(1-methylbutyl)malonylurea
  • Quinalbarbitone
  • Secobarbital suppository dosage form
  • SECOBARBITAL [VANDF]
  • 5-(pentan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
  • Immenox
  • Somatarax
  • 5-(pentan-2-yl)-5-(prop-2-en-1-yl)-pyrimidine-2,4,6(1H,3H,5H)-trione
  • NS00010411
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, (+-)-
  • Barbituric acid, 5-allyl-5-(1-methylbutyl)-
  • SCHEMBL80734
  • Seconal
  • Secobarbital
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-(1-methylbutyl)-5-(2-propen-1-yl)-
  • Secobarbital solution
  • Imesonal
  • Immenoctal
  • quinalbarbitone
  • quinobarbitone
  • somosal
  • Trisomnin

CAS Number

76-73-3

Customs_Code

2933530014

Supplier Information

Supplier Name Member Level Authentication Status Main Category MOQ Action
ChinaChina - Hubei De Ao Hua Yan Yiyao Technology Co., Ltd.
ChinaChina - Shanghai Hansi Chemical Co., Ltd.