QUININE PHOSPHATE PENTAHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	3C20H24N2O2.5H2O.2H3O4P
Molecular Weight	1259.317
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of QUININE PHOSPHATE PENTAHYDRATE

Structure Search

SMILES

O.O.O.O.O.OP(O)(O)=O.OP(O)(O)=O.[H][C@]1(C[C@@H]2CCN1C[C@@H]2C=C)[C@H](O)C3=C4C=C(OC)C=CC4=NC=C3.[H][C@]5(C[C@@H]6CCN5C[C@@H]6C=C)[C@H](O)C7=C8C=C(OC)C=CC8=NC=C7.[H][C@]9(C[C@@H]%10CCN9C[C@@H]%10C=C)[C@H](O)C%11=C%12C=C(OC)C=CC%12=NC=C%11

InChI

InChIKey=MWMLYBXRPSKZBK-IAKHVEHQSA-N

InChI=1S/3C20H24N2O2.2H3O4P.5H2O/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);5*1H2/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

Molecular Formula	H2O
Molecular Weight	18.0153
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 15:26:17 UTC 2023` Edited by `admin` on `Fri Dec 15 15:26:17 UTC 2023`
Record UNII	7AJC32Z9OD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUININE PHOSPHATE PENTAHYDRATE

Common Name

English

QUININE, PHOSPHATE (3:2) (SALT), PENTAHYDRATE

Common Name

English

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

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 310.547