U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C12H12N2O3.C4H11N
Molecular Weight 305.3721
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENOBARBITAL DIETHYLAMINE

SMILES

CCNCC.CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2

InChI

InChIKey=HRIVMPCILUGJNH-UHFFFAOYSA-N
InChI=1S/C12H12N2O3.C4H11N/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-3-5-4-2/h3-7H,2H2,1H3,(H2,13,14,15,16,17);5H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H12N2O3
Molecular Weight 232.2353
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H11N
Molecular Weight 73.1368
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 Sat Dec 16 08:29:54 UTC 2023
Edited
by admin
on Sat Dec 16 08:29:54 UTC 2023
Record UNII
RB423CG92E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENOBARBITAL DIETHYLAMINE
WHO-DD  
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-PHENYL-, COMPD. WITH N-ETHYLETHANAMINE (1:1)
Systematic Name English
DIETHYLAMINE, COMPD. WITH 5-ETHYL-5-PHENYLBARBITURIC ACID (1:1)
Systematic Name English
DIETHYLAMINE, 5-ETHYL-5-PHENYLBARBITURATE
Systematic Name English
PHENOBARBITAL DIETHYLAMINE SALT
Common Name English
Phenobarbital diethylamine [WHO-DD]
Common Name English
BARBITURIC ACID, 5-ETHYL-5-PHENYL-, COMPD. WITH DIETHYLAMINE (1:1)
Common Name English
Code System Code Type Description
CAS
24573-29-3
Created by admin on Sat Dec 16 08:29:54 UTC 2023 , Edited by admin on Sat Dec 16 08:29:54 UTC 2023
PRIMARY
FDA UNII
RB423CG92E
Created by admin on Sat Dec 16 08:29:54 UTC 2023 , Edited by admin on Sat Dec 16 08:29:54 UTC 2023
PRIMARY
PUBCHEM
46174100
Created by admin on Sat Dec 16 08:29:54 UTC 2023 , Edited by admin on Sat Dec 16 08:29:54 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY