3-DEMETHYLTRIMETHOPRIM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H16N4O3
Molecular Weight	276.2911
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(CC2=C(N)N=C(N)N=C2)=CC(O)=C1OC

InChI

InChIKey=HWBPOLWLLFXEJY-UHFFFAOYSA-N

InChI=1S/C13H16N4O3/c1-19-10-5-7(4-9(18)11(10)20-2)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula	C13H16N4O3
Molecular Weight	276.2911
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 06:17:58 GMT 2025` Edited by `admin` on `Wed Apr 02 06:17:58 GMT 2025`
Record UNII	RY09Z6E3O8
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-DEMETHYLTRIMETHOPRIM

Common Name

English

3'-HYDROXYTRIMETHOPRIM

Preferred Name

English

3-DEMETHYL-TRIMETHOPRIM

Common Name

English

2,4-DIAMINO-5-(3-HYDROXY-4,5-DIMETHOXYBENZYL)PYRIMIDINE

Systematic Name

English

5-((2,4-DIAMINO-5-PYRIMIDINYL)METHYL)-2,3-DIMETHOXYPHENOL

Systematic Name

English

PHENOL, 5-((2,4-DIAMINO-5-PYRIMIDINYL)METHYL)-2,3-DIMETHOXY-

Systematic Name

English

Code System Code Type Description

PUBCHEM

12849769

Created by admin on Wed Apr 02 06:17:58 GMT 2025 , Edited by admin on Wed Apr 02 06:17:58 GMT 2025

PRIMARY

CAS

27653-69-6

Created by admin on Wed Apr 02 06:17:58 GMT 2025 , Edited by admin on Wed Apr 02 06:17:58 GMT 2025

PRIMARY

EPA CompTox

DTXSID10511435

Created by admin on Wed Apr 02 06:17:58 GMT 2025 , Edited by admin on Wed Apr 02 06:17:58 GMT 2025

PRIMARY

FDA UNII

RY09Z6E3O8

Created by admin on Wed Apr 02 06:17:58 GMT 2025 , Edited by admin on Wed Apr 02 06:17:58 GMT 2025

PRIMARY

Related Record Type Details


					AN164J8Y0X

TRIMETHOPRIM

PARENT -> METABOLITE