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Details

Stereochemistry RACEMIC
Molecular Formula C16H21NO2.C12H12N2O3
Molecular Weight 491.5787
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROPRANOLOL PHENOBARBITAL

SMILES

CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.CC(C)NCC(O)COC3=C4C=CC=CC4=CC=C3

InChI

InChIKey=TXMSMBUTLMUCIE-UHFFFAOYSA-N
InChI=1S/C16H21NO2.C12H12N2O3/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-9,12,14,17-18H,10-11H2,1-2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)

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 C16H21NO2
Molecular Weight 259.3434
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:05:38 GMT 2023
Edited
by admin
on Sat Dec 16 08:05:38 GMT 2023
Record UNII
3F5736O1NF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROPRANOLOL PHENOBARBITAL
WHO-DD  
Common Name English
Propranolol phenobarbital [WHO-DD]
Common Name English
BETARYL
Brand Name English
BARBITURIC ACID, 5-ETHYL-5-PHENYL-, COMPD. WITH 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL (1:1)
Common Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5-ETHYL-5-PHENYL-, COMPD. WITH 1-((1-METHYLETHYL)AMINO)-3-(1-NAPHTHALENYLOXY)-2-PROPANOL (1:1)
Systematic Name English
2-PROPANOL, 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-, COMPD. WITH 5-ETHYL-5-PHENYLBARBITURIC ACID (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
3F5736O1NF
Created by admin on Sat Dec 16 08:05:38 GMT 2023 , Edited by admin on Sat Dec 16 08:05:38 GMT 2023
PRIMARY
CAS
27066-98-4
Created by admin on Sat Dec 16 08:05:38 GMT 2023 , Edited by admin on Sat Dec 16 08:05:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID60949820
Created by admin on Sat Dec 16 08:05:38 GMT 2023 , Edited by admin on Sat Dec 16 08:05:38 GMT 2023
PRIMARY
ECHA (EC/EINECS)
248-204-0
Created by admin on Sat Dec 16 08:05:38 GMT 2023 , Edited by admin on Sat Dec 16 08:05:38 GMT 2023
PRIMARY
PUBCHEM
3084469
Created by admin on Sat Dec 16 08:05:38 GMT 2023 , Edited by admin on Sat Dec 16 08:05:38 GMT 2023
PRIMARY