U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C25H35NO3
Molecular Weight 397.5503
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of PIPWAQARINE

SMILES

CC(C)CCNC(=O)\C=C\C=C\CCCCCC\C=C\C1=CC2=C(OCO2)C=C1

InChI

InChIKey=NYVUYIBAOSSJCA-AUVZEZIHSA-N
InChI=1S/C25H35NO3/c1-21(2)17-18-26-25(27)14-12-10-8-6-4-3-5-7-9-11-13-22-15-16-23-24(19-22)29-20-28-23/h8,10-16,19,21H,3-7,9,17-18,20H2,1-2H3,(H,26,27)/b10-8+,13-11+,14-12+

HIDE SMILES / InChI

Approval Year

Name Type Language
PIPWAQARINE
Common Name English
2,4,12-TRIDECATRIENAMIDE, 13-(1,3-BENZODIOXOL-5-YL)-N-(3-METHYLBUTYL)-, (2E,4E,12E)-
Systematic Name English
(2E,4E,12E)-13-(1,3-BENZODIOXOL-5-YL)-N-(3-METHYLBUTYL)-2,4,12-TRIDECATRIENAMIDE
Systematic Name English
Code System Code Type Description
FDA UNII
Y5JX8N5FEC
Created by admin on Sat Dec 16 18:53:01 GMT 2023 , Edited by admin on Sat Dec 16 18:53:01 GMT 2023
PRIMARY
PUBCHEM
157010714
Created by admin on Sat Dec 16 18:53:01 GMT 2023 , Edited by admin on Sat Dec 16 18:53:01 GMT 2023
PRIMARY
CAS
850544-73-9
Created by admin on Sat Dec 16 18:53:01 GMT 2023 , Edited by admin on Sat Dec 16 18:53:01 GMT 2023
PRIMARY