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Trimethoprim

CAT: 0862-GA3656-10gSize: 10 gDry Ice: NoHazardous: No
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CAT#:0862-GA3656-10gSize:10 g
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CAS Number
738-70-5
EC Number
212-006-2
MDL Number
MFCD00036761
HS Code
29335995
Purity
99.00%
Molecular Formula
C14H18N4O3
Molecular Weight
290.32
Storage Conditions
+4°C
Hazardous Class
Not hazardous

Chemical Information

Trimethoprim

Trimethoprim is an aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge. It has a role as a diuretic, a xenobiotic, an antibacterial drug, an EC 1.5.1.3 (dihydrofolate reductase) inhibitor, an environmental contaminant and a drug allergen. It is an aminopyrimidine and a member of methoxybenzenes.

CAS Number738-70-5
PubChem CID5578
IUPAC Name5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Molecular FormulaC14H18N4O3
Molecular Weight290.32
XLogP0.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity307
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N
InChI
InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)
InChIKey
IEDVJHCEMCRBQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimethoprim
CAS: 738-70-5
CID: 5578
Formula: C14H18N4O3
MW: 290.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.32
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass290.13789045
Monoisotopic Mass290.13789045
Topological Polar Surface Area106 Ų
Heavy Atom Count21
Formal Charge0
Complexity307
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AT28516-01Trimethoprim

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