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Details

Stereochemistry RACEMIC
Molecular Formula C11H17N2O3.Na
Molecular Weight 248.254
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTOBARBITAL SODIUM

SMILES

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

InChI

InChIKey=QGMRQYFBGABWDR-UHFFFAOYSA-M
InChI=1S/C11H18N2O3.Na/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);/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 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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 14:59:52 UTC 2023
Edited
by admin
on Fri Dec 15 14:59:52 UTC 2023
Record UNII
NJJ0475N0S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTOBARBITAL SODIUM
EP   GREEN BOOK   JAN   MART.   ORANGE BOOK   USP   VANDF   WHO-DD  
Common Name English
NARCOREN
Brand Name English
SODIUM PENTOBARBITONE
Common Name English
Pentobarbital sodium [WHO-DD]
Common Name English
V-PENTO
Common Name English
AUROPAN
Common Name English
SODIUM-PENT
Common Name English
844
Common Name English
MEBUMAL SODIUM
Common Name English
NSC-10816
Code English
SAGATAL
Brand Name English
NEMBUTAL SODIUM
Brand Name English
SODIUM NEMBUTAL
Common Name English
DIABUTAL
Brand Name English
PENTOBARBITAL SODIUM SALT
MI  
Common Name English
EUTHATAL
Brand Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-(1-METHYLBUTYL), MONOSODIUM SALT
Common Name English
SODIUM PENTOBARBITAL
Brand Name English
SOPENTAL
Common Name English
PENTOBARBITAL SODIUM [MART.]
Common Name English
ISOBARB
Brand Name English
PENTOBARBITAL SODIUM [VANDF]
Common Name English
NAPENTAL
Common Name English
MEBUBARBITAL SODIUM
Common Name English
PENTAL
Brand Name English
SODIUM PENTOBARBITURATE
Common Name English
BARPENTAL
Brand Name English
VETBUTAL
Common Name English
PRAECICALM
Brand Name English
ETAMINAL SODIUM
Common Name English
PENTOBARBITAL SODIUM SALT [MI]
Common Name English
SOMNOTOL
Common Name English
PENTOBARBITAL SODIUM [USP MONOGRAPH]
Common Name English
Sodium 5-ethyl-5-(1-methylbutyl)barbiturate
Systematic Name English
5-ETHYL-5-(1-METHYLBUTYL) BARBITURIC ACID SODIUM SALT
Common Name English
PENTOBARBITAL SODIUM [EP MONOGRAPH]
Common Name English
SOLUBLE PENTOBARBITAL
Common Name English
SOMNOPENTYL
Common Name English
PENTOBARBITAL SODIUM [GREEN BOOK]
Common Name English
PENTOBARBITAL SODIUM [JAN]
Common Name English
PENTONE
Brand Name English
EMBUTAL
Brand Name English
SODIUM PENTAL
Common Name English
BARBITURIC ACID, 5-ETHYL-5-(1-METHYLBUTYL)-, SODIUM SALT
Common Name English
SODIUM ETHAMINAL
Common Name English
PENTOBARBITAL SODIUM [ORANGE BOOK]
Common Name English
ETHAMINAL SODIUM
Common Name English
PENTONAL
Common Name English
PENTOBARBITAL SODIUM [EP IMPURITY]
Common Name English
ENTOBAR
Brand Name English
EUTHANYL
Brand Name English
RS-PENTOBARBITAL SODIUM
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-(1-METHYLBUTYL)-, SODIUM SALT (1:1)
Common Name English
PACIFAN
Brand Name English
BIOSEDAN
Brand Name English
SOTYL
Common Name English
PENTOBARBITONE SODIUM
Common Name English
Classification Tree Code System Code
CFR 21 CFR 522.2444B
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
CFR 21 CFR 522.1704
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
CFR 21 CFR 522.900
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
NCI_THESAURUS C67084
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
DEA NO. 2270
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
Code System Code Type Description
MERCK INDEX
m8513
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY Merck Index
CAS
57-33-0
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY
RXCUI
203085
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY RxNorm
SMS_ID
100000090048
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-323-9
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY
FDA UNII
NJJ0475N0S
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY
EVMPD
SUB03691MIG
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY
ChEMBL
CHEMBL448
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY
PUBCHEM
14075609
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY
DRUG BANK
DBSALT000442
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY
DAILYMED
NJJ0475N0S
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY
NCI_THESAURUS
C47662
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY
NSC
10816
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID9021712
Created by admin on Fri Dec 15 14:59:53 UTC 2023 , Edited by admin on Fri Dec 15 14:59:53 UTC 2023
PRIMARY
Related Record Type Details
Structure of PENTOBARBITAL
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of 5-(1-METHYLBUTYL)BARBITURIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 5-METHYL-5-(1-METHYLBUTYL)BARBITURIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of ISOMEBUMAL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of 6-IMINO-5-ETHYL-5-(1-METHYLBUTYL) BARBITURIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of DIBERAL
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Related Record Type Details
Structure of PENTOBARBITAL
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