U.S. Department of Health & Human Services Divider Arrow 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

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 Sat Dec 16 10:12:55 GMT 2023
Edited
by admin
on Sat Dec 16 10:12:55 GMT 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 Sat Dec 16 10:12:55 GMT 2023 , Edited by admin on Sat Dec 16 10:12:55 GMT 2023
PRIMARY
CAS
475085-57-5
Created by admin on Sat Dec 16 10:12:55 GMT 2023 , Edited by admin on Sat Dec 16 10:12:55 GMT 2023
PRIMARY
CHEBI
90848
Created by admin on Sat Dec 16 10:12:55 GMT 2023 , Edited by admin on Sat Dec 16 10:12:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID801153092
Created by admin on Sat Dec 16 10:12:55 GMT 2023 , Edited by admin on Sat Dec 16 10:12:55 GMT 2023
PRIMARY
FDA UNII
E9PC7N0DID
Created by admin on Sat Dec 16 10:12:55 GMT 2023 , Edited by admin on Sat Dec 16 10:12:55 GMT 2023
PRIMARY
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