Product Code

TRC-D228660

CAS Number

1233196-91-2

Product Format

Neat

Molecular Formula

C27 H23 N3 O10

Molecular Weight

549.486

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Deferasirox Acyl-beta-D-glucuronide

CAS Number

1233196-91-2

Molecular Formula

C27 H23 N3 O10

Molecular Weight

549.486

Accurate Mass

549.138

SMILES

O[C@H]1[C@H](OC(=O)c2ccc(cc2)n3nc(nc3c4ccccc4O)c5ccccc5O)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O

InChI

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

IUPAC

(2S,3S,4S,5R,6S)-6-[4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Deferasirox Acyl-β-D-glucuronide

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