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Details

Stereochemistry RACEMIC
Molecular Formula C12H17N2O3.Na
Molecular Weight 260.2647
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SECOBARBITAL SODIUM

SMILES

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

InChI

InChIKey=AXXJTNXVUHVOJW-UHFFFAOYSA-M
InChI=1S/C12H18N2O3.Na/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);/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 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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:32:07 UTC 2023
Edited
by admin
on Fri Dec 15 16:32:07 UTC 2023
Record UNII
XBP604F6UM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SECOBARBITAL SODIUM
GREEN BOOK   JAN   MART.   MI   ORANGE BOOK   USP   VANDF   WHO-DD  
Common Name English
QUINALBARBITONE SODIUM
Common Name English
SECOBARBITAL SODIUM [VANDF]
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(1-METHYLBUTYL)-5-(2-PROPENYL)-, MONOSODIUM SALT
Common Name English
SEBAR
Brand Name English
SECOBARBITAL SODIUM [USP IMPURITY]
Common Name English
BARBOSEC
Brand Name English
SECOBARBITAL SODIUM [USP MONOGRAPH]
Common Name English
SECOBARBITAL SODIUM [MART.]
Common Name English
SECOBARBITAL SODIUM [JAN]
Common Name English
EVRONAL SODIUM
Brand Name English
PRAMIL
Brand Name English
IMMENOCTAL
Brand Name English
SECOBARBITAL SODIUM [GREEN BOOK]
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(1-METHYLBUTYL)-5-(2-PROPEN-1-YL)-, SODIUM SALT (1:1)
Systematic Name English
SECOBARBITAL SODIUM [MI]
Common Name English
Secobarbital sodium [WHO-DD]
Common Name English
SYNATE
Brand Name English
(RS)-SECOBARBITAL SODIUM
Common Name English
NSC-10818
Code English
5-ALLYL-5-(1-METHYLBUTYL)BARBITURIC ACID SODIUM SALT
Common Name English
SECOBARBITAL SODIUM [ORANGE BOOK]
Common Name English
BARBITURIC ACID, 5-ALLYL-5-(1-METHYLBUTYL)-, SODIUM SALT
Common Name English
Classification Tree Code System Code
DEA NO. 2315
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
CFR 21 CFR 522.900
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
NCI_THESAURUS C67084
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
Code System Code Type Description
CAS
51165-35-6
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
SUPERSEDED
DAILYMED
XBP604F6UM
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY
NCI_THESAURUS
C66530
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY
PUBCHEM
14148199
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY
MERCK INDEX
m9827
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY Merck Index
FDA UNII
XBP604F6UM
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY
EPA CompTox
DTXSID5022019
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY
ChEMBL
CHEMBL447
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY
NSC
10818
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY
CAS
4847-61-4
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
SUPERSEDED
ECHA (EC/EINECS)
206-218-4
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY
SMS_ID
100000084947
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY
EVMPD
SUB04344MIG
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY
RXCUI
91110
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY RxNorm
DRUG BANK
DBSALT000255
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY
CAS
309-43-3
Created by admin on Fri Dec 15 16:32:07 UTC 2023 , Edited by admin on Fri Dec 15 16:32:07 UTC 2023
PRIMARY
Related Record Type Details
Structure of SECOBARBITAL
PARENT -> SALT/SOLVATE
Structure of SECOBARBITAL SODIUM
BASIS OF STRENGTH->SUBSTANCE
ASSAY (HPLC)
USP
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Structure of 5-ALLYL-4-IMINO-5-(1-METHYLBUTYL) BARBITURIC ACID
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Structure of 5-(2-HYDROXYPROPYL)-5-(1-METHYLBUTYL) BARBITURIC ACID
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of SECOBARBITAL
ACTIVE MOIETY
NIH
NCATS
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