4-DESAMINO-4-HYDROXY TRIMETHOPRIM

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H17N3O4
Molecular Weight	291.3025
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-DESAMINO-4-HYDROXY TRIMETHOPRIM

Structure Search

SMILES

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

InChI

InChIKey=ZKFZTBRMADDRMK-UHFFFAOYSA-N

InChI=1S/C14H17N3O4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-16-14(15)17-13(9)18/h5-7H,4H2,1-3H3,(H3,15,16,17,18)

HIDE SMILES / InChI

Molecular Formula	C14H17N3O4
Molecular Weight	291.3025
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 09:10:16 UTC 2023` Edited by `admin` on `Sat Dec 16 09:10:16 UTC 2023`
Record UNII	2W6TXK5JQS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-DESAMINO-4-HYDROXY TRIMETHOPRIM

Common Name

English

TRIMETHOPRIM IMPURITY D [EP IMPURITY]

Common Name

English

4-PYRIMIDINOL, 2-AMINO-5-(3,4,5-TRIMETHOXYBENZYL)-

Systematic Name

English

2-AMINO-5-(3,4,5-TRIMETHOXYBENZYL)PYRIMIDIN-4-OL

Systematic Name

English

4(3H)-PYRIMIDINONE, 2-AMINO-5-((3,4,5-TRIMETHOXYPHENYL)METHYL)-

Systematic Name

English

Code System Code Type Description

CAS

92440-76-1

Created by admin on Sat Dec 16 09:10:16 UTC 2023 , Edited by admin on Sat Dec 16 09:10:16 UTC 2023

PRIMARY

ECHA (EC/EINECS)

296-233-2

Created by admin on Sat Dec 16 09:10:16 UTC 2023 , Edited by admin on Sat Dec 16 09:10:16 UTC 2023

PRIMARY

PUBCHEM

597783

Created by admin on Sat Dec 16 09:10:16 UTC 2023 , Edited by admin on Sat Dec 16 09:10:16 UTC 2023

PRIMARY

FDA UNII

2W6TXK5JQS

Created by admin on Sat Dec 16 09:10:16 UTC 2023 , Edited by admin on Sat Dec 16 09:10:16 UTC 2023

PRIMARY

EPA CompTox

DTXSID10239006

Created by admin on Sat Dec 16 09:10:16 UTC 2023 , Edited by admin on Sat Dec 16 09:10:16 UTC 2023

PRIMARY

Related Record Type Details


					AN164J8Y0X

PARENT -> IMPURITY

Comments:

UNSPECIFIED

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: