PENTOBARBITAL

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H18N2O3
Molecular Weight	226.2722
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENTOBARBITAL

Structure Search

SMILES

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

InChI

InChIKey=WEXRUCMBJFQVBZ-UHFFFAOYSA-N

InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

HIDE SMILES / InChI

Molecular Formula	C11H18N2O3
Molecular Weight	226.2722
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 `Fri Dec 15 18:59:38 UTC 2023` Edited by `admin` on `Fri Dec 15 18:59:38 UTC 2023`
Record UNII	I4744080IR
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PENTOBARBITAL

Official Name

English

MEBUMAL

Common Name

English

MEBUBARBITAL

Common Name

English

PENTOBARBITAL [EP MONOGRAPH]

Common Name

English

Pentobarbital [WHO-DD]

Common Name

English

NEMBUTAL

Brand Name

English

PENTOBARBITAL [GREEN BOOK]

Common Name

English

THIOPENTAL SODIUM IMPURITY B [EP IMPURITY]

Common Name

English

PENTOBARBITAL CII [USP-RS]

Common Name

English

PENTOBARBITAL [USP MONOGRAPH]

Common Name

English

PENTOBARBITONE

Common Name

English

(±)-5-ETHYL-5-(1-METHYLBUTYL)BARBITURIC ACID

Systematic Name

English

PENTOBARBITAL [VANDF]

Common Name

English

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

Systematic Name

English

NSC-28708

Code

English

pentobarbital [INN]

Common Name

English

PENTOBARBITAL CII

Common Name

English

PENTOBARBITAL [MI]

Common Name

English

PENTOBARBITAL [HSDB]

Common Name

English

PENTOBARBITAL [MART.]

Common Name

English

PENTOBARBITAL [ORANGE BOOK]

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 522.380

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

WHO-ATC

N05CA01

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

WHO-VATC

QN51AA01

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

LIVERTOX

757

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

WHO-VATC

QN05CA01

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

NCI_THESAURUS

C67084

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

WHO-VATC

QN51AA51

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

DEA NO.

2270

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

Code System Code Type Description

MERCK INDEX

m8513

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

Merck Index

SMS_ID

100000088686

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

EVMPD

SUB09699MIG

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

DAILYMED

I4744080IR

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

FDA UNII

I4744080IR

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

ChEMBL

CHEMBL448

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

RS_ITEM_NUM

1507002

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

LACTMED

Pentobarbital

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

DRUG CENTRAL

2095

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

CHEBI

7983

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

NCI_THESAURUS

C61885

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

MESH

D010424

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

WIKIPEDIA

PENTOBARBITAL

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

DRUG BANK

DB00312

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

PUBCHEM

4737

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

NSC

28708

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

IUPHAR

5480

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

INN

703

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

EPA CompTox

DTXSID7023435

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

CAS

76-74-4

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

RXCUI

8004

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

RxNorm

ECHA (EC/EINECS)

200-983-8

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

HSDB

3151

Created by admin on Fri Dec 15 18:59:38 UTC 2023 , Edited by admin on Fri Dec 15 18:59:38 UTC 2023

PRIMARY

Related Record Type Details


					66V4W08X7J

PENTOBARBITAL CALCIUM

SALT/SOLVATE -> PARENT


					32I9YOC576

CALCIUM PENTOBARBITAL

SALT/SOLVATE -> PARENT


					I4744080IR

BASIS OF STRENGTH->SUBSTANCE

Interaction Type:

ASSAY (TITRATION)

Qualification:

EP

Amount:


					I4744080IR

BASIS OF STRENGTH->SUBSTANCE

Interaction Type:

ASSAY (HPLC)

Qualification:

USP

Amount:


					U7D0E1VOAM

PENTOBARBITAL, (S)-

ENANTIOMER -> RACEMATE


					8DF73ON6SJ

PENTOBARBITAL, (R)-

ENANTIOMER -> RACEMATE


					XKC28WZ299

PENTOBARBITAL-D5

LABELED -> NON-LABELED

Amount:


					NJJ0475N0S

PENTOBARBITAL SODIUM

SALT/SOLVATE -> PARENT

Related Record Type Details


					527K5G60J8

6-IMINO-5-ETHYL-5-(1-METHYLBUTYL) BARBITURIC ACID

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					31E1HC8I46

DIBERAL

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					49Y44QZL70

THIOPENTAL SODIUM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					0J1XR8C3A5

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					FZU79N757U

5-METHYL-5-(1-METHYLBUTYL)BARBITURIC ACID

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:


					T2UTA4V8KJ

5-(1-METHYLBUTYL)BARBITURIC ACID

IMPURITY -> PARENT

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount:

Related Record Type Details


					I4744080IR

ACTIVE MOIETY