Deferasirox Impurity E | Identitet

01Identitet

Lazychem ID	LC-12124
CAS RN	1688656-83-8
PubChem CID	136216174
Molecular formula	C42H28N6O8S
Molecular weight	776.77 g/mol
IUPAC name	4,4'-(3,3'-(thiobis(2-hydroxy-5,1-phenylene))bis(5-(2-hydroxyphenyl)-1H-1,2,4-triazole-3,1-diyl))dibenzoic acid
InChIKey	NWETZLTWYSYMFW-UHFFFAOYSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Deferasirox Impurity E, CAS 1688656-83-8 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 8 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	8
Secondary amines	0
Tertiary amines	0

SMILES	OC1=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
InChI	Ikke angivet

03Status i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

04Navne og relationer

API og moderlægemiddel

Deferasirox

Urenheder og beslægtede forbindelser

Navne og relationer

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

05Kilder

S01
PubChem CID 136216174
Structure and machine-readable chemical identifiers.