TRIMETHOPRIM HYDROCHLORIDE

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Also known as: Trimethoprim hcl, 60834-30-2, Trimethoprim (hydrochloride), 9xe000ou9b, 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine hydrochloride, Trimpex (tn)

Molecular Formula

C₁₄H₁₉ClN₄O₃

Molecular Weight

326.78 g/mol

InChI Key

YLCCEQZHUHUYPA-UHFFFAOYSA-N

FDA UNII

9XE000OU9B

1 2D Structure

TRIMETHOPRIM HYDROCHLORIDE

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine;hydrochloride

2.1.2 InChI

InChI=1S/C14H18N4O3.ClH/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);1H

2.1.3 InChI Key

YLCCEQZHUHUYPA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N.Cl

2.2 Other Identifiers

2.2.1 UNII

9XE000OU9B

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Trimethoprim Hcl

2. 60834-30-2

3. Trimethoprim (hydrochloride)

4. 9xe000ou9b

5. 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine Hydrochloride

6. Trimpex (tn)

7. 5-((3,4,5-trimethoxyphenyl)methyl)pyrimidine-2,4-diamine Hydrochloride

8. Trimplex

9. Trimplex 200

10. Unii-9xe000ou9b

11. Einecs 262-450-6

12. Primsol (tn)

13. Schembl1236697

14. Chembl1201080

15. Hy-b0510b

16. Dtxsid40209671

17. Trimethoprim Hydrochloride [who-dd]

18. Cs-0031202

19. D11085

20. Trimethoprim Hydrochloride [orange Book]

21. Q27273348

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₉ClN₄O₃
Molecular Weight	326.78 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	326.1145682 g/mol
Monoisotopic Mass	326.1145682 g/mol
Topological Polar Surface Area	106 Å²
Heavy Atom Count	22
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	2