Chemical identity

Deferasirox Impurity E

CAS 1688656-83-8 · C42H28N6O8S

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-12124
PubChem CID136216174
NameDeferasirox Impurity E
CAS RN1688656-83-8
Molecular formulaC42H28N6O8S
Molecular weight776.77 g/mol
IUPAC name4,4'-(3,3'-(thiobis(2-hydroxy-5,1-phenylene))bis(5-(2-hydroxyphenyl)-1H-1,2,4-triazole-3,1-diyl))dibenzoic acid
InChIKeyNWETZLTWYSYMFW-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 136216174
2D structure: Deferasirox Impurity E, CAS 1688656-83-8
Structure of Deferasirox Impurity E (CAS 1688656-83-8). LazyChem record. Source identity: PubChem CID 136216174. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC42H28N6O8S
InChIKeyNWETZLTWYSYMFW-UHFFFAOYSA-N
Ring count8
Defined stereocentres0
Unassigned stereocentres0
SMILESOC1=CC=CC=C1C2=NC(C3=C(O)C=CC(SC4=CC=C(O)C(C5=NN(C6=CC=C(C(O)=O)C=C6)C(C7=CC=CC=C7O)=N5)=C4)=C3)=NN2C8=CC=C(C(O)=O)C=C8
InChIInChI=1S/C42H28N6O8S/c49-33-7-3-1-5-29(33)39-43-37(45-47(39)25-13-9-23(10-14-25)41(53)54)31-21-27(17-19-35(31)51)57-28-18-20-36(52)32(22-28)38-44-40(30-6-2-4-8-34(30)50)48(46-38)26-15-11-24(12-16-26)42(55)56/h1-22,49-52H,(H,53,54)(H,55,56)

03India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 1688656-83-8 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 1688656-83-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

04Names and relationships

Associated parent compound

Deferasirox

View API and impurity family

Other names

  • Bis[3-[1-(4-Carboxyphenyl)-5-(2-hydroxyphenyl)-1H-1, 2, 4-triazol-3-yl]-4-hydroxyphenyl] Sulfide

Related records from the same parent family

05Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

06Sources