FERRIC QUININE CITRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H24N2O2.C6H5O7.Fe
Molecular Weight	569.361
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Fe+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.[H][C@@](O)(C1=C2C=C(OC)C=CC2=NC=C1)[C@@]3([H])CC4CCN3C[C@@]4([H])C=C

InChI

InChIKey=FWOCLSFIXZFROP-LGBLWNGASA-K

InChI=1S/C20H24N2O2.C6H8O7.Fe/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;7-3(8)1-6(13,5(11)12)2-4(9)10;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+3/p-3/t13-,14?,19-,20-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	Fe
Molecular Weight	55.845
Charge	3
Count

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

Molecular Formula	C6H5O7
Molecular Weight	189.0997
Charge	-3
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	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	3 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:59:15 UTC 2023` Edited by `admin` on `Sat Dec 16 18:59:15 UTC 2023`
Record UNII	48L982DFV3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FERRIC QUININE CITRATE

Common Name

English

Code System Code Type Description

FDA UNII

48L982DFV3

Created by admin on Sat Dec 16 18:59:15 UTC 2023 , Edited by admin on Sat Dec 16 18:59:15 UTC 2023

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CAS

8053-35-8

Created by admin on Sat Dec 16 18:59:15 UTC 2023 , Edited by admin on Sat Dec 16 18:59:15 UTC 2023

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PUBCHEM

66770311

Created by admin on Sat Dec 16 18:59:15 UTC 2023 , Edited by admin on Sat Dec 16 18:59:15 UTC 2023

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