QUININE 2-GLYCEROPHOSPHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C20H24N2O2.C3H9O6P
Molecular Weight	820.9072
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OCC(CO)OP(O)(O)=O.[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C3=C4C=C(OC)C=CC4=NC=C3.[H][C@]5(C[C@@H]6CC[N@]5C[C@@H]6C=C)[C@H](O)C7=C8C=C(OC)C=CC8=NC=C7

InChI

InChIKey=WIGIXSBCSSPGJZ-VMJVVOMYSA-N

InChI=1S/2C20H24N2O2.C3H9O6P/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;4-1-3(2-5)9-10(6,7)8/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-5H,1-2H2,(H2,6,7,8)/t2*13-,14-,19-,20+;/m00./s1

HIDE SMILES / InChI

Molecular Formula	C3H9O6P
Molecular Weight	172.0737
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	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:54:56 GMT 2023` Edited by `admin` on `Fri Dec 15 15:54:56 GMT 2023`
Record UNII	H5SE58740G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUININE 2-GLYCEROPHOSPHATE

Common Name

English

CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, COMPD. WITH 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE (2:1)

Common Name

English

1,2,3-PROPANETRIOL, 2-(DIHYDROGEN PHOSPHATE), COMPD. WITH (8.ALPHA.,9R)-6'-METHOXYCINCHONAN-9-OL (1:2)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60234263