TRIMETHOPRIM 1-OXIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H18N4O4
Molecular Weight	306.3171
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+]([O-])=C2)=CC(OC)=C1OC

InChI

InChIKey=FOPGIVDHWKZJDQ-UHFFFAOYSA-N

InChI=1S/C14H18N4O4/c1-20-10-5-8(6-11(21-2)12(10)22-3)4-9-7-18(19)14(16)17-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17)

HIDE SMILES / InChI

Molecular Formula	C14H18N4O4
Molecular Weight	306.3171
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 `Sat Dec 16 15:18:24 GMT 2023` Edited by `admin` on `Sat Dec 16 15:18:24 GMT 2023`
Record UNII	CFX36LL429
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIMETHOPRIM 1-OXIDE

Common Name

English

2,4-PYRIMIDINEDIAMINE, 5-((3,4,5-TRIMETHOXYPHENYL)METHYL)-, 1-OXIDE

Systematic Name

English

TRIMETHOPRIM 1-N-OXIDE

Common Name

English

2,4-DIAMINO-5-(3,4,5-TRIMETHOXYBENZYL)PYRIMIDINE 1-OXIDE

Systematic Name

English

1-NO-TRIMETHOPRIM

Common Name

English

Code System Code Type Description

CAS

27653-68-5

Created by admin on Sat Dec 16 15:18:25 GMT 2023 , Edited by admin on Sat Dec 16 15:18:25 GMT 2023

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EPA CompTox

DTXSID501315300

Created by admin on Sat Dec 16 15:18:25 GMT 2023 , Edited by admin on Sat Dec 16 15:18:25 GMT 2023

PRIMARY

FDA UNII

CFX36LL429

Created by admin on Sat Dec 16 15:18:25 GMT 2023 , Edited by admin on Sat Dec 16 15:18:25 GMT 2023

PRIMARY

Related Record Type Details


					AN164J8Y0X

TRIMETHOPRIM

PARENT -> METABOLITE

Comments:

Several heterologously expressed P450 enzymes, including CYP1A1, CYP1B1, CYP2C19, CYP3A4, CYP3A5, and CYP3A7, were capable of catalyzing 1-NO-TMP formation