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Trimethoprim-d3

CAS No.:
1189923-38-3
Catalog Number:
AG008VPF
Molecular Formula:
C14H15D3N4O3
Molecular Weight:
293.3362
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥99% deuterated forms (d<sub>1</sub>-d<sub>3</sub>)
1 week
United States
$440
- +
Product Description
Catalog Number:
AG008VPF
Chemical Name:
Trimethoprim-d3
CAS Number:
1189923-38-3
Molecular Formula:
C14H15D3N4O3
Molecular Weight:
293.3362
MDL Number:
MFCD16039497
IUPAC Name:
5-[[3,5-dimethoxy-4-(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine
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)/i3D3
InChI Key:
IEDVJHCEMCRBQM-HPRDVNIFSA-N
SMILES:
COc1cc(Cc2cnc(nc2N)N)cc(c1OC([2H])([2H])[2H])OC
Properties
Complexity:
307  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.157g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
3  
Molecular Weight:
293.341g/mol
Monoisotopic Mass:
293.157g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties