QUININE PHOSPHATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	3C20H24N2O2.2H3O4P
Molecular Weight	1169.2406
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OP(O)(O)=O.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.[H][C@]9(C[C@@H]%10CC[N@]9C[C@@H]%10C=C)[C@H](O)C%11=C%12C=C(OC)C=CC%12=NC=C%11

InChI

InChIKey=JGWCVXDJEMKYEA-INGJVHGESA-N

InChI=1S/3C20H24N2O2.2H3O4P/c3*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;2*1-5(2,3)4/h3*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*(H3,1,2,3,4)/t3*13-,14-,19-,20+;;/m000../s1

HIDE SMILES / InChI

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

Molecular Formula	H3O4P
Molecular Weight	97.9952
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.springer.com/gp/book/9783034604796
Curator's Comment: Treatment and Prevention of Malaria. Antimalarial Drug Chemistry, Action and Use. P. 47, Table 1.

QUININE PHOSPHATE, a salt of quinine, was formerly used for the treatment of malaria.

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:32:10 UTC 2023` Edited by `admin` on `Fri Dec 15 15:32:10 UTC 2023`
Record UNII	0E9UD56A3I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUININE PHOSPHATE

Common Name

English

QUININE PHOSPHATE, ANHYDROUS

Common Name

English

QUININE, PHOSPHATE (3:2) (SALT)

Common Name

English

CINCHONAN-9-OL, 6'-METHOXY-, (8.ALPHA.,9R)-, PHOSPHATE (3:2) (SALT)

Common Name

English

Code System Code Type Description

PUBCHEM

76963120