AG009X9B

Name: Deferasirox methyl ester
Brand: Angene Chemical
SKU: AG009X9B

1266741-05-2 | Deferasirox methyl ester

AG009X9B

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CAS Number	1266741-05-2
Catalog Number	AG009X9B(AGN-PC-0WBNRU)
Chemical Name	Deferasirox methyl ester
IUPAC Name	methyl 4-[3,5-bis(2-hydroxyphenyl)-1,2,4-triazol-1-yl]benzoate
InChI	InChI=1S/C22H17N3O4/c1-29-22(28)14-10-12-15(13-11-14)25-21(17-7-3-5-9-19(17)27)23-20(24-25)16-6-2-4-8-18(16)26/h2-13,26-27H,1H3
InChI Key	SQUCUUVFSUCLCC-UHFFFAOYSA-N
MDL Number	MFCD30297213
Molecular Formula	C22H17N3O4
Molecular Weight	387.3881
SMILES	COC(=O)c1ccc(cc1)n2nc(nc2c3ccccc3O)c4ccccc4O
Synonyms	Deferasirox Methyl Ester, SCHEMBL8242279, 1266741-05-2, 4-[3,5-Bis(2-hydroxyphenyl)-1H-1,2,4-triazole-1-yl]benzoic acid methyl ester,

Complexity	554
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	387.122g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	387.395g/mol
Monoisotopic Mass	387.122g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	97.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited