5-HYDROXYDEFERASIROX SULFATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H15N3O8S
Molecular Weight	469.424
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-HYDROXYDEFERASIROX SULFATE

Structure Search

SMILES

OC(=O)C1=CC=C(C=C1)N2N=C(N=C2C3=C(O)C=CC=C3)C4=C(O)C=CC(OS(O)(=O)=O)=C4

InChI

InChIKey=RNNRJBXISNQMEF-UHFFFAOYSA-N

InChI=1S/C21H15N3O8S/c25-17-4-2-1-3-15(17)20-22-19(16-11-14(9-10-18(16)26)32-33(29,30)31)23-24(20)13-7-5-12(6-8-13)21(27)28/h1-11,25-26H,(H,27,28)(H,29,30,31)

HIDE SMILES / InChI

Molecular Formula	C21H15N3O8S
Molecular Weight	469.424
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:12:01 UTC 2023` Edited by `admin` on `Sat Dec 16 10:12:01 UTC 2023`
Record UNII	1PZ860690I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-HYDROXYDEFERASIROX SULFATE

Common Name

English

DEFERASIROX (M7)

Common Name

English

4-(3-(2-HYDROXY-5-(SULFOOXY)PHENYL)-5-(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)BENZOIC ACID

Systematic Name

English

5-SULFATE CONJUGATE OF DEFERASIROX (M1)

Common Name

English

Code System Code Type Description

PUBCHEM

135565936

Created by admin on Sat Dec 16 10:12:01 UTC 2023 , Edited by admin on Sat Dec 16 10:12:01 UTC 2023

PRIMARY

FDA UNII

1PZ860690I

Created by admin on Sat Dec 16 10:12:01 UTC 2023 , Edited by admin on Sat Dec 16 10:12:01 UTC 2023

PRIMARY

Related Record Type Details


					V8G4MOF2V9

DEFERASIROX

PARENT -> METABOLITE

Qualification:

FECAL; URINE