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Trimethoprim EP Impurity E

CAT: 1596-AR-T12116-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T12116-04Size:100 Units
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CAS Number
60729-91-1
Synonyms
6-Amino-5-[ (3,4,5-trimethoxyphenyl) methyl]-2 (1H) -pyrimidinone; USP Trimethoprim Related Compound A;4-Amino-5-[ (3,4,5-trimethoxyphenyl) methyl]-2 (1H) -pyrimidinone
Molecular Formula
C14H17N3O4
Molecular Weight
291.31
API Name
Trimethoprim

Chemical Information

2-Desamino-2-hydroxy trimethoprim
CAS Number60729-91-1
PubChem CID13734022
IUPAC Name6-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-2-one
Molecular FormulaC14H17N3O4
Molecular Weight291.30
XLogP0.7
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity436
SMILES
COC1=CC(=CC(=C1OC)OC)CC2=C(NC(=O)N=C2)N
InChI
InChI=1S/C14H17N3O4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-16-14(18)17-13(9)15/h5-7H,4H2,1-3H3,(H3,15,16,17,18)
InChIKey
OYDLMYVTTNXWRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Desamino-2-hydroxy trimethoprim
CAS: 60729-91-1
CID: 13734022
Formula: C14H17N3O4
MW: 291.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.30
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass291.12190603
Monoisotopic Mass291.12190603
Topological Polar Surface Area95.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity436
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

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Alternative Products

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RM-T181310-01Trimethoprim Impurity 10
RM-T181311-01Trimethoprim Impurity 11
RM-T181314-01Trimethoprim Impurity 14
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