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Details

Stereochemistry ACHIRAL
Molecular Formula C10H13N2O3.Na
Molecular Weight 232.2116
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APROBARBITAL SODIUM

SMILES

[Na+].CC(C)C1(CC=C)C(=O)NC(=O)[N-]C1=O

InChI

InChIKey=HLFOAHHCDKJHCJ-UHFFFAOYSA-M
InChI=1S/C10H14N2O3.Na/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);/q;+1/p-1

HIDE SMILES / InChI
Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C10H14N2O3
Molecular Weight 210.2298
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Aprobarbital is a barbiturate derivative. Aprobarbital have been used for the short-term treatment of insomnia and for routine sedation to relieve anxiety, tension, and apprehension however, barbiturates generally have been replaced by benzodiazepines.

CNS Activity

Originator

Hoffman-La Roche
134
Curator's Comment: On Saturday, March 12, 1927, a U.S. federal trademark registration was filed for ALURATE (trade name for Aprobarbital) by Hoffmann-La Roche Inc.. According to Wikipedia Aprobarbital was invented in the 1920s by Ernst Preiswerk (No additional reference available). # Hoffmann-La Roche Inc.

Approval Year

1921
1467
Targets

Targets

Primary TargetPharmacologyConditionPotency
Positive Allosteric Modulator
179
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Approved
8429
ALURATE

Approved Use

Aprobarbital have been used for the short-term treatment of insomnia and for routine sedation to relieve anxiety, tension, and apprehension however, barbiturates generally have been replaced by benzodiazepines.

Launch Date

1927
Primary
Approved
8429
ALURATE

Approved Use

Aprobarbital have been used for the short-term treatment of insomnia and for routine sedation to relieve anxiety, tension, and apprehension however, barbiturates generally have been replaced by benzodiazepines.

Launch Date

1927
Sourcing

Sourcing

Vendor/AggregatorIDURL
ChEBI
CHEBI:2791
https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:2791
ZINC
ZINC000018167382
http://zinc15.docking.org/substances/ZINC000018167382
eMolecules
3715659
https://www.emolecules.com/cgi-bin/more?vid=3715659
PubMed

PubMed

TitleDatePubMed
Permanent impairment of renal function after methicillin nephropathy.
1971 Nov 13
Determinations of zidovudine/didanosine/nevirapine and zidovudine/didanosine/ritonavir in human serum by micellar electrokinetic chromatography.
2002 Nov 7
The history of barbiturates a century after their clinical introduction.
2005 Dec
Occurrence and fate of barbiturates in the aquatic environment.
2006 Dec 1
Patents

Patents

JP4629339B2
2

Sample Use Guides

In Vivo Use Guide
Usual adult dose Hypnotic: Oral, 40 to 160 mg at bedtime. Sedative: Daytime—Oral, 40 mg three times a day.
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:57:35 GMT 2023
Edited
by admin
on Sat Dec 16 01:57:35 GMT 2023
Record UNII
6T90V76R18
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APROBARBITAL SODIUM
Common Name English
ALUBARB
Brand Name English
APROBARBITONE SODIUM
Common Name English
APROTAL
Brand Name English
SOMNIPRON
Brand Name English
APROBARBITAL SODIUM SALT
MI  
Common Name English
ARBATAL
Brand Name English
SODIUM APROBARBITAL
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(1-METHYLETHYL)-5-(2- PROPENYL)-, MONOSODIUM SALT
Common Name English
5-ALLYL-5-ISOPROPYLBARBITURIC ACID SODIUM SALT
Common Name English
BARITAL
Brand Name English
SODIUM 5-ALLYL-5-ISOPROPYLBARBITURATE
Systematic Name English
APROBARBITAL SODIUM SALT [MI]
Common Name English
NSC-120767
Code English
ALURATE SODIUM
Brand Name English
NERVOLITAN
Brand Name English
Classification Tree Code System Code
DEA NO. 2100
Created by admin on Sat Dec 16 01:57:35 GMT 2023 , Edited by admin on Sat Dec 16 01:57:35 GMT 2023
Code System Code Type Description
NSC
120767
Created by admin on Sat Dec 16 01:57:35 GMT 2023 , Edited by admin on Sat Dec 16 01:57:35 GMT 2023
PRIMARY
MERCK INDEX
m2015
Created by admin on Sat Dec 16 01:57:35 GMT 2023 , Edited by admin on Sat Dec 16 01:57:35 GMT 2023
PRIMARY Merck Index
PUBCHEM
23662380
Created by admin on Sat Dec 16 01:57:35 GMT 2023 , Edited by admin on Sat Dec 16 01:57:35 GMT 2023
PRIMARY
CAS
125-88-2
Created by admin on Sat Dec 16 01:57:35 GMT 2023 , Edited by admin on Sat Dec 16 01:57:35 GMT 2023
PRIMARY
DRUG BANK
DBSALT002230
Created by admin on Sat Dec 16 01:57:35 GMT 2023 , Edited by admin on Sat Dec 16 01:57:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-760-6
Created by admin on Sat Dec 16 01:57:35 GMT 2023 , Edited by admin on Sat Dec 16 01:57:35 GMT 2023
PRIMARY
FDA UNII
6T90V76R18
Created by admin on Sat Dec 16 01:57:35 GMT 2023 , Edited by admin on Sat Dec 16 01:57:35 GMT 2023
PRIMARY
Related Record Type Details
Structure of APROBARBITAL
SALT/SOLVATE -> PARENT
NIH
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