D-3017

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H14N2O3
Molecular Weight	246.2619
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=CC(C)=C1NC(=O)C2=NOC(CO)=C2

InChI

InChIKey=INTCSWFXEXGUFR-UHFFFAOYSA-N

InChI=1S/C13H14N2O3/c1-8-4-3-5-9(2)12(8)14-13(17)11-6-10(7-16)18-15-11/h3-6,16H,7H2,1-2H3,(H,14,17)

HIDE SMILES / InChI

Molecular Formula	C13H14N2O3
Molecular Weight	246.2619
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 16:07:50 GMT 2023` Edited by `admin` on `Sat Dec 16 16:07:50 GMT 2023`
Record UNII	527HOM1DFY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

D-3017

Code

English

D 3017

Code

English

3-ISOXAZOLECARBOXAMIDE, N-(2,6-DIMETHYLPHENYL)-5-(HYDROXYMETHYL)-

Systematic Name

English

D3017

Code

English

N-(2,6-DIMETHYLPHENYL)-5-(HYDROXYMETHYL)-3-ISOXAZOLECARBOXAMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

527HOM1DFY

Created by admin on Sat Dec 16 16:07:50 GMT 2023 , Edited by admin on Sat Dec 16 16:07:50 GMT 2023

PRIMARY

PUBCHEM

3076191

Created by admin on Sat Dec 16 16:07:50 GMT 2023 , Edited by admin on Sat Dec 16 16:07:50 GMT 2023

PRIMARY

EPA CompTox

DTXSID90156525

Created by admin on Sat Dec 16 16:07:50 GMT 2023 , Edited by admin on Sat Dec 16 16:07:50 GMT 2023

PRIMARY

CAS

130403-18-8

Created by admin on Sat Dec 16 16:07:50 GMT 2023 , Edited by admin on Sat Dec 16 16:07:50 GMT 2023

PRIMARY

Related Record Type Details


					3T3U2U10ZP

D-2624

PARENT -> METABOLITE

Comments:

However, plasma samples contained D3017 within 15 to 30min of administration at all dose levels (25mg 50mg, 75mg, 100mg, 150mg, 225mg).

Qualification:

PLASMA

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC