DEFERASIROX ACYL-.BETA.-D-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H23N3O10
Molecular Weight	549.4856
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DEFERASIROX ACYL-.BETA.-D-GLUCURONIDE

Structure Search

SMILES

O[C@H]1[C@H](OC(=O)C2=CC=C(C=C2)N3N=C(N=C3C4=CC=CC=C4O)C5=CC=CC=C5O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=YSCGZJLIVXVFPM-AWZWVWSRSA-N

InChI=1S/C27H23N3O10/c31-17-7-3-1-5-15(17)23-28-24(16-6-2-4-8-18(16)32)30(29-23)14-11-9-13(10-12-14)26(38)40-27-21(35)19(33)20(34)22(39-27)25(36)37/h1-12,19-22,27,31-35H,(H,36,37)/t19-,20-,21+,22-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H23N3O10
Molecular Weight	549.4856
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:06:06 GMT 2025` Edited by `admin` on `Mon Mar 31 23:06:06 GMT 2025`
Record UNII	904IZ54WYX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEFERASIROX ACYL-.BETA.-D-GLUCURONIDE

Common Name

English

DEFERASIROX (M3)

Preferred Name

English

.BETA.-D-GLUCOPYRANURONIC ACID, 1-(4-(3,5-BIS(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-1-YL)BENZOATE)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90747432

Created by admin on Mon Mar 31 23:06:06 GMT 2025 , Edited by admin on Mon Mar 31 23:06:06 GMT 2025

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CAS

1233196-91-2

Created by admin on Mon Mar 31 23:06:06 GMT 2025 , Edited by admin on Mon Mar 31 23:06:06 GMT 2025

PRIMARY

PUBCHEM

135565398

Created by admin on Mon Mar 31 23:06:06 GMT 2025 , Edited by admin on Mon Mar 31 23:06:06 GMT 2025

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FDA UNII

904IZ54WYX

Created by admin on Mon Mar 31 23:06:06 GMT 2025 , Edited by admin on Mon Mar 31 23:06:06 GMT 2025

PRIMARY

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DEFERASIROX

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