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Trimethoprim-d4 (Major)

CAT: 0572-TRC-T795623-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T795623-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189923-38-3
Synonyms
Trimethoprim D3 (4-methoxy D3)
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H].[2H].[2H]C([2H])([2H])Oc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC
Molecular Formula
C14 D5 H15 N4 O3
Molecular Weight
297.364
InChI
InChI=1S/C14H18N4O3.2H/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;2*1+1
Additionnal Information
IUPAC name: 5-[[3,5-dimethoxy-4-(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Trimethoprim-d3

See also: Trimethoprim (annotation moved to); Sulfamethoxazole-trimethoprim mixt. (annotation moved to).

CAS Number1189923-38-3
PubChem CID46783191
IUPAC Name5-[[3,5-dimethoxy-4-(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine
Molecular FormulaC14H18N4O3
Molecular Weight293.34
XLogP0.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity307
SMILES
[2H]C([2H])([2H])OC1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
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
InChIKey
IEDVJHCEMCRBQM-HPRDVNIFSA-N
Chemical Structure
2D Structure
2D structure of Trimethoprim-d3
CAS: 1189923-38-3
CID: 46783191
Formula: C14H18N4O3
MW: 293.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.34
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass293.15672069
Monoisotopic Mass293.15672069
Topological Polar Surface Area106 Ų
Heavy Atom Count21
Formal Charge0
Complexity307
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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