ACT-333679

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H29N3O3
Molecular Weight	419.5161
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ACT-333679

Structure Search

SMILES

CC(C)N(CCCCOCC(O)=O)C1=NC(C2=CC=CC=C2)=C(N=C1)C3=CC=CC=C3

InChI

InChIKey=OJQMKCBWYCWFPU-UHFFFAOYSA-N

InChI=1S/C25H29N3O3/c1-19(2)28(15-9-10-16-31-18-23(29)30)22-17-26-24(20-11-5-3-6-12-20)25(27-22)21-13-7-4-8-14-21/h3-8,11-14,17,19H,9-10,15-16,18H2,1-2H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C25H29N3O3
Molecular Weight	419.5161
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 `Thu Jul 06 15:45:45 UTC 2023` Edited by `admin` on `Thu Jul 06 15:45:45 UTC 2023`
Record UNII	E9PC7N0DID
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ACT-333679

Code

English

ACETIC ACID, (4-((5,6-DIPHENYLPYRAZINYL)(1-METHYLETHYL)AMINO)BUTOXY)-

Systematic Name

English

MRE-269

Code

English

J2.120.976G

Code

English

2-(4-(ISOPROPYL(5,6-DIPHENYLPYRAZINE-2-YL)AMINO)BUTOXY)ACETIC ACID

Systematic Name

English

MRE269

Code

English

(4-((5,6-DIPHENYLPYRAZIN-2-YL)(ISOPROPYL)AMINO)BUTOXY)ACETIC ACID

Systematic Name

English

ACT333679

Code

English

Code System Code Type Description

PUBCHEM

9931891

Created by admin on Thu Jul 06 15:45:45 UTC 2023 , Edited by admin on Thu Jul 06 15:45:45 UTC 2023

PRIMARY

CAS

475085-57-5

Created by admin on Thu Jul 06 15:45:45 UTC 2023 , Edited by admin on Thu Jul 06 15:45:45 UTC 2023

PRIMARY

CHEBI

90848

Created by admin on Thu Jul 06 15:45:45 UTC 2023 , Edited by admin on Thu Jul 06 15:45:45 UTC 2023

PRIMARY

EPA CompTox

DTXSID801153092

Created by admin on Thu Jul 06 15:45:45 UTC 2023 , Edited by admin on Thu Jul 06 15:45:45 UTC 2023

PRIMARY

FDA UNII

E9PC7N0DID

Created by admin on Thu Jul 06 15:45:45 UTC 2023 , Edited by admin on Thu Jul 06 15:45:45 UTC 2023

PRIMARY

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Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC

Biological Half-life	PHARMACOKINETIC