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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N2O4
Molecular Weight 251.2142
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-HYDROXYPHENOBARBITAL, 2-13C-1,3-15N2

SMILES

CCC1(C(=O)[15NH][13C](=O)[15NH]C1=O)C2=CC=C(O)C=C2

InChI

InChIKey=IEPXMKJNWPXDBP-AIGZGMKWSA-N
InChI=1S/C12H12N2O4/c1-2-12(7-3-5-8(15)6-4-7)9(16)13-11(18)14-10(12)17/h3-6,15H,2H2,1H3,(H2,13,14,16,17,18)/i11+1,13+1,14+1

HIDE SMILES / InChI

Molecular Formula C12H12N2O4
Molecular Weight 251.2142
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 15:43:33 GMT 2023
Edited
by admin
on Fri Dec 15 15:43:33 GMT 2023
Record UNII
8ZU3BGY7CC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-HYDROXYPHENOBARBITAL, 2-13C-1,3-15N2
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE-2-13C-1,3-15N2, 5-ETHYL-5-(4-HYDROXYPHENYL)-
Systematic Name English
Code System Code Type Description
CAS
202406-59-5
Created by admin on Fri Dec 15 15:43:33 GMT 2023 , Edited by admin on Fri Dec 15 15:43:33 GMT 2023
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FDA UNII
8ZU3BGY7CC
Created by admin on Fri Dec 15 15:43:33 GMT 2023 , Edited by admin on Fri Dec 15 15:43:33 GMT 2023
PRIMARY
PUBCHEM
155884424
Created by admin on Fri Dec 15 15:43:33 GMT 2023 , Edited by admin on Fri Dec 15 15:43:33 GMT 2023
PRIMARY