5-HYDROXYDEFERASIROX

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H15N3O5
Molecular Weight	389.3609
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=OBWFHDNXHWBASZ-UHFFFAOYSA-N

InChI=1S/C21H15N3O5/c25-14-9-10-18(27)16(11-14)19-22-20(15-3-1-2-4-17(15)26)24(23-19)13-7-5-12(6-8-13)21(28)29/h1-11,25-27H,(H,28,29)

HIDE SMILES / InChI

Molecular Formula	C21H15N3O5
Molecular Weight	389.3609
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 GMT 2023` Edited by `admin` on `Sat Dec 16 10:12:01 GMT 2023`
Record UNII	ELW3P96H5O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-HYDROXYDEFERASIROX

Common Name

English

BENZOIC ACID, 4-(3-(2,5-DIHYDROXYPHENYL)-5-(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)-

Systematic Name

English

4-(3-(2,5-DIHYDROXYPHENYL)-5-(2-HYDROXYPHENYL)-(1,2,4)TRIAZOL-1-YL)BENZOIC ACID

Systematic Name

English

DEFERASIROX (M1)

Common Name

English

Code System Code Type Description

FDA UNII

ELW3P96H5O

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

PRIMARY

CAS

524746-12-1

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

PRIMARY

PUBCHEM

135449920

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

PRIMARY

Related Record Type Details


					V8G4MOF2V9

DEFERASIROX

PARENT -> METABOLITE

Comments:

Presumably by CYP1A

Qualification:

FECAL