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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H24N2O2.C12H12N2O3
Molecular Weight 556.652
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenobarbital quinine

SMILES

CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.[H][C@]3(C[C@@H]4CC[N@]3C[C@@H]4C=C)[C@H](O)C5=C6C=C(OC)C=CC6=NC=C5

InChI

InChIKey=YHRUERMOPBDCFD-DSXUQNDKSA-N
InChI=1S/C20H24N2O2.C12H12N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)/t13-,14-,19-,20+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C20H24N2O2
Molecular Weight 324.4168
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:17:49 GMT 2023
Edited
by admin
on Sat Dec 16 19:17:49 GMT 2023
Record UNII
USG4R4G27Q
Record Status Validated (UNII)
Record Version
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Name Type Language
Phenobarbital quinine
Common Name English
Phenobarbital quinine [WHO-DD]
Common Name English
Code System Code Type Description
FDA UNII
USG4R4G27Q
Created by admin on Sat Dec 16 19:17:49 GMT 2023 , Edited by admin on Sat Dec 16 19:17:49 GMT 2023
PRIMARY
PUBCHEM
164512879
Created by admin on Sat Dec 16 19:17:49 GMT 2023 , Edited by admin on Sat Dec 16 19:17:49 GMT 2023
PRIMARY
CAS
880258-50-4
Created by admin on Sat Dec 16 19:17:49 GMT 2023 , Edited by admin on Sat Dec 16 19:17:49 GMT 2023
PRIMARY
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