AG00C37D

Name: 4-DeMethyltriMethopriM
Brand: Angene Chemical
SKU: AG00C37D

21253-58-7 | 4-DeMethyltriMethopriM

AG00C37D

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CAS Number	21253-58-7
Catalog Number	AG00C37D(AGN-PC-0N47ST)
Chemical Name	4-DeMethyltriMethopriM
IUPAC Name	4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxyphenol
InChI	InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)
InChI Key	HPOCGNHBIFZCAN-UHFFFAOYSA-N
MDL Number	MFCD31536269
Molecular Formula	C13H16N4O3
Molecular Weight	276.2911
SMILES	COc1cc(cc(c1O)OC)Cc2cnc(nc2N)N
Synonyms	4-Demethyltrimethoprim, 21253-58-7, 4-HYDROXYTRIMETHOPRIM, CHEMBL1181, 4-((2,4-Diaminopyrimidin-5-yl)methyl)-2,6-dimethoxyphenol, 4'-O-Demethyltrimetoprim, SCHEMBL248638, HPOCGNHBIFZCAN-UHFFFAOYSA-N, BDBM50404462, ZINC13760474, AKOS030632505, 2,4-diamino-5-(3,5-dimethoxy-4-hydroxybenzyl)pyrimidine, 2,4-diamino-5-(4-hydroxy-3,5-dimethoxybenzyl)pyrimidine, CID10423570, 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-phenol,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.122g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	276.296g/mol
Monoisotopic Mass	276.122g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	117A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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