U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 2-GLUCURONIDE

SMILES

O[C@H]1[C@H](OC2=C(C=CC=C2)C3=NN(C(=N3)C4=C(O)C=CC=C4)C5=CC=C(C=C5)C(O)=O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
DEFERASIROX 2-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(1-(4-CARBOXYPHENYL)-5-(2-HYDROXYPHENYL)-1H-1,2,4-TRIAZOL-3-YL)PHENYL
Systematic Name English
DEFERASIROX (M6)
Common Name English
Code System Code Type Description
PUBCHEM
135566034
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
1233196-92-3
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
EPA CompTox
DTXSID701112897
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
FDA UNII
D50PQ1R10Q
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