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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N2O3
Molecular Weight 237.2661
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENOBARBITAL, (ETHYL-D5)-

SMILES

[2H]C([2H])([2H])C([2H])([2H])C1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2

InChI

InChIKey=DDBREPKUVSBGFI-ZBJDZAJPSA-N
InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)/i1D3,2D2

HIDE SMILES / InChI

Molecular Formula C12H12N2O3
Molecular Weight 237.2661
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:40:35 UTC 2023
Edited
by admin
on Fri Dec 15 15:40:35 UTC 2023
Record UNII
846FQL88QE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENOBARBITAL, (ETHYL-D5)-
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-(ETHYL-D5)-5-PHENYL-
Systematic Name English
Code System Code Type Description
CAS
73738-05-3
Created by admin on Fri Dec 15 15:40:35 UTC 2023 , Edited by admin on Fri Dec 15 15:40:35 UTC 2023
PRIMARY
EPA CompTox
DTXSID10482358
Created by admin on Fri Dec 15 15:40:35 UTC 2023 , Edited by admin on Fri Dec 15 15:40:35 UTC 2023
PRIMARY
FDA UNII
846FQL88QE
Created by admin on Fri Dec 15 15:40:35 UTC 2023 , Edited by admin on Fri Dec 15 15:40:35 UTC 2023
PRIMARY
PUBCHEM
12249714
Created by admin on Fri Dec 15 15:40:35 UTC 2023 , Edited by admin on Fri Dec 15 15:40:35 UTC 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED