2'-OXOQUININE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H24N2O3
Molecular Weight	340.4162
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C3=C4C=C(OC)C=CC4=NC(=O)C3

InChI

InChIKey=CTPMRCUKNXMFRT-OCCRYCDCSA-N

InChI=1S/C20H24N2O3/c1-3-12-11-22-7-6-13(12)8-18(22)20(24)16-10-19(23)21-17-5-4-14(25-2)9-15(16)17/h3-5,9,12-13,18,20,24H,1,6-8,10-11H2,2H3/t12-,13-,18-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H24N2O3
Molecular Weight	340.4162
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:32:38 GMT 2023` Edited by `admin` on `Sat Dec 16 07:32:38 GMT 2023`
Record UNII	1307GQ08VK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2'-OXOQUININE

Common Name

English

2'-HYDROXYQUININE

Common Name

English

CINCHONAN-2'(1'H)-ONE, 9-HYDROXY-6'-METHOXY-, (8.ALPHA.,9R)-

Systematic Name

English

2'-QUININONE

Common Name

English

Code System Code Type Description

PUBCHEM

91810516

Created by admin on Sat Dec 16 07:32:38 GMT 2023 , Edited by admin on Sat Dec 16 07:32:38 GMT 2023

PRIMARY

FDA UNII

1307GQ08VK

Created by admin on Sat Dec 16 07:32:38 GMT 2023 , Edited by admin on Sat Dec 16 07:32:38 GMT 2023

PRIMARY

EPA CompTox

DTXSID101232819

Created by admin on Sat Dec 16 07:32:38 GMT 2023 , Edited by admin on Sat Dec 16 07:32:38 GMT 2023

PRIMARY

CAS

36508-93-7

Created by admin on Sat Dec 16 07:32:38 GMT 2023 , Edited by admin on Sat Dec 16 07:32:38 GMT 2023

PRIMARY

Related Record Type Details


					A7V27PHC7A

QUININE

PARENT -> METABOLITE

Qualification:

PLASMA; URINE