SECOBARBITAL

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H18N2O3
Molecular Weight	238.2829
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SECOBARBITAL

Structure Search

SMILES

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

InChI

InChIKey=KQPKPCNLIDLUMF-UHFFFAOYSA-N

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)

HIDE SMILES / InChI

Molecular Formula	C12H18N2O3
Molecular Weight	238.2829
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:43:16 UTC 2023` Edited by `admin` on `Sat Dec 16 16:43:16 UTC 2023`
Record UNII	1P7H87IN75
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SECOBARBITAL

Official Name

English

SECOBARBITAL [HSDB]

Common Name

English

SECOBARBITONE

Common Name

English

SECOBARBITAL [VANDF]

Common Name

English

MEBALLYMAL

Brand Name

English

SECOBARBITAL [MART.]

Common Name

English

QUINALBARBITAL

Brand Name

English

SECOBARBITAL SODIUM FREE ACID [MI]

Common Name

English

2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(1-METHYLBUTYL)-5-(2-PROPENYL)-

Systematic Name

English

(±)-QUINALBARBITONE

Common Name

English

(RS)-SECOBARBITAL

Common Name

English

BARBITURIC ACID, 5-ALLYL-5-(1-METHYLBUTYL)-

Common Name

English

2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(1-METHYLBUTYL)-5-(2-PROPEN-1-YL)-

Systematic Name

English

EVRONAL

Brand Name

English

SOMATARAX

Brand Name

English

IMMENOX

Brand Name

English

5-(1-METHYLBUTYL)-5-(2-PROPEN-1-YL)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE

Systematic Name

English

SECONAL

Brand Name

English

SECOBARBITAL CII

Common Name

English

HYPOTROL

Brand Name

English

SECOBARBITAL [USP IMPURITY]

Common Name

English

Secobarbital [WHO-DD]

Common Name

English

SECOBARBITAL [USP-RS]

Common Name

English

secobarbital [INN]

Common Name

English

Classification Tree Code System Code

WHO-ATC

N05CA06

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

WHO-VATC

QN05CA06

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

LIVERTOX

876

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

WHO-VATC

QN51AA02

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

WHO-VATC

QN51AA52

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

DEA NO.

2315

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

NCI_THESAURUS

C67084

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

Code System Code Type Description

CAS

76-73-3

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

NCI_THESAURUS

C61937

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

EVMPD

SUB10468MIG

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

PUBCHEM

5193

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

INN

146

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

DRUG CENTRAL

2428

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

DRUG BANK

DB00418

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

WIKIPEDIA

SECOBARBITAL

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

CAS

29071-21-4

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

SUPERSEDED

DAILYMED

1P7H87IN75

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

ECHA (EC/EINECS)

200-982-2

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

HSDB

3182

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

LACTMED

Secobarbital

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

RXCUI

9624

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

RxNorm

IUPHAR

7615

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

RS_ITEM_NUM

1611004

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

SMS_ID

100000084104

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

MERCK INDEX

m9827

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

FDA UNII

1P7H87IN75

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

EPA CompTox

DTXSID6044145

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

CHEBI

9073

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

MESH

D012631

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

ChEMBL

CHEMBL447

Created by admin on Sat Dec 16 16:43:17 UTC 2023 , Edited by admin on Sat Dec 16 16:43:17 UTC 2023

PRIMARY

Related Record Type Details


					XBP604F6UM

SECOBARBITAL SODIUM

SALT/SOLVATE -> PARENT


					HX75939EI7

SECOBARBITAL, (R)-

ENANTIOMER -> RACEMATE


					1P7H87IN75

BASIS OF STRENGTH->SUBSTANCE

Interaction Type:

ASSAY (TITRATION)

Qualification:

USP

Amount:


					FG3SCI1960

SECOBARBITAL, (S)-

ENANTIOMER -> RACEMATE


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Interaction Type:

BINDING

Amount:


					FUM3HFV4F8

SECOBARBITAL, (2-PROPENYL-1,1,2,3,3-D5)-

LABELED -> NON-LABELED

Amount:


					H9EB8P3P7B

SECOBARBITAL, (1-METHYL-D3)-

LABELED -> NON-LABELED

Amount:

Related Record Type Details


					1P7H87IN75

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC