EcoDrugPlus


Trade Names	PRIMSOL
Synonyms	Primsol Trimethoprim hcl Trimethoprim hydrochloride
Status
Molecule Category	Salt-form
UNII	9XE000OU9B
EPA CompTox	DTXSID40209671
Parent Compound:	TRIMETHOPRIM

Trade Names

PRIMSOL

Synonyms

Primsol

Trimethoprim hcl

Trimethoprim hydrochloride

Status

Molecule Category

Salt-form

UNII

9XE000OU9B

EPA CompTox

DTXSID40209671

Parent Compound:

TRIMETHOPRIM


InChI Key	YLCCEQZHUHUYPA-UHFFFAOYSA-N
Smiles	COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.Cl
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

InChI Key

YLCCEQZHUHUYPA-UHFFFAOYSA-N

Smiles

COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.Cl

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

Property Name	Value
Molecular Formula	C14H19ClN4O3
Molecular Weight	326.78
AlogP	1.26
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	105.51
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C14H19ClN4O3

Molecular Weight

326.78

AlogP

1.26

Hydrogen Bond Acceptor

7.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

5.0

Polar Surface Area

105.51

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

21.0

Mechanism of Action	Action	Reference
Bacterial dihydrofolate reductase inhibitor	INHIBITOR	DailyMed

Mechanism of Action

Action

Reference

Bacterial dihydrofolate reductase inhibitor

INHIBITOR

DailyMed

Resources	Reference
ChEMBL	CHEMBL1201080
FDA SRS	9XE000OU9B
PubChem	173769
SureChEMBL	SCHEMBL1236697

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

TRIMETHOPRIM HYDROCHLORIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References