Trimethoprim

CAT: 0203-35039-11Size: 1 gDry Ice: NoHazardous: Yes

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CAT#:0203-35039-11Size:1 g

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CAS Number

738-70-5

UN Code

2811

Purity

≧ 98.0% (HPLC)

Storage Conditions

R (Refrigerator)

Grade

GR (Guaranteed Reagent)

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 Number	738-70-5
PubChem CID	5578
IUPAC Name	5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Molecular Formula	C14H18N4O3
Molecular Weight	290.32
XLogP	0.9
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	307

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

CAS: 738-70-5

CID: 5578

Formula: C14H18N4O3

MW: 290.32

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	290.32
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	290.13789045
Monoisotopic Mass	290.13789045
Topological Polar Surface Area	106 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	307
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
B2057-50	Trimethoprim

Trimethoprim

Chemical Information

Alternative Products

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