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

Details

Stereochemistry RACEMIC
Molecular Formula C16H24N2O2
Molecular Weight 276.374
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D-717

SMILES

CNCCCC(C#N)(C(C)C)C1=CC(OC)=C(O)C=C1

InChI

InChIKey=VNRFDZGJCSCHFU-UHFFFAOYSA-N
InChI=1S/C16H24N2O2/c1-12(2)16(11-17,8-5-9-18-3)13-6-7-14(19)15(10-13)20-4/h6-7,10,12,18-19H,5,8-9H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
D-717
Common Name English
D 717
Code English
BENZENEACETONITRILE, 4-HYDROXY-3-METHOXY-.ALPHA.-(3-(METHYLAMINO)PROPYL)-.ALPHA.-(1-METHYLETHYL)-
Systematic Name English
PR 25
Code English
Code System Code Type Description
PUBCHEM
10016311
Created by admin on Sat Dec 16 10:53:43 GMT 2023 , Edited by admin on Sat Dec 16 10:53:43 GMT 2023
PRIMARY
FDA UNII
8XRR2EZX43
Created by admin on Sat Dec 16 10:53:43 GMT 2023 , Edited by admin on Sat Dec 16 10:53:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID50893328
Created by admin on Sat Dec 16 10:53:43 GMT 2023 , Edited by admin on Sat Dec 16 10:53:43 GMT 2023
PRIMARY
CAS
71539-08-7
Created by admin on Sat Dec 16 10:53:43 GMT 2023 , Edited by admin on Sat Dec 16 10:53:43 GMT 2023
PRIMARY