Phenobarbital quinine

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 Search

SMILES

CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2.COC3=CC=C4N=CC=C([C@@H](O)[C@@H]5C[C@@H]6CC[N@]5C[C@@H]6C=C)C4=C3

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	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	C20H24N2O2
Molecular Weight	324.4168
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:50:11 GMT 2025` Edited by `admin` on `Wed Apr 02 14:50:11 GMT 2025`
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]

Preferred Name

English

Code System Code Type Description

FDA UNII

USG4R4G27Q

Created by admin on Wed Apr 02 14:50:11 GMT 2025 , Edited by admin on Wed Apr 02 14:50:11 GMT 2025

PRIMARY

PUBCHEM

164512879

Created by admin on Wed Apr 02 14:50:11 GMT 2025 , Edited by admin on Wed Apr 02 14:50:11 GMT 2025

PRIMARY

CAS

880258-50-4

Created by admin on Wed Apr 02 14:50:11 GMT 2025 , Edited by admin on Wed Apr 02 14:50:11 GMT 2025

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