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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H26N2O2
Molecular Weight 290.4005
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D-617, (S)-

SMILES

CNCCC[C@](C#N)(C(C)C)C1=CC=C(OC)C(OC)=C1

InChI

InChIKey=WLOBUUJURNEQCL-KRWDZBQOSA-N
InChI=1S/C17H26N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,6,9-10H2,1-5H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H26N2O2
Molecular Weight 290.4005
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:28:43 GMT 2025
Edited
by admin
on Wed Apr 02 11:28:43 GMT 2025
Record UNII
53NR5EA5CW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(S)-D-617
Preferred Name English
D-617, (S)-
Common Name English
Benzeneacetonitrile, 3,4-dimethoxy-?-[3-(methylamino)propyl]-?-(1-methylethyl)-, (S)-
Systematic Name English
(2S)-2-(3,4-Dimethoxyphenyl)-5-(methylamino)-2-(1-methylethyl)pentanenitrile
Systematic Name English
Code System Code Type Description
PUBCHEM
13537152
Created by admin on Wed Apr 02 11:28:43 GMT 2025 , Edited by admin on Wed Apr 02 11:28:43 GMT 2025
PRIMARY
FDA UNII
53NR5EA5CW
Created by admin on Wed Apr 02 11:28:43 GMT 2025 , Edited by admin on Wed Apr 02 11:28:43 GMT 2025
PRIMARY
CAS
36661-65-1
Created by admin on Wed Apr 02 11:28:43 GMT 2025 , Edited by admin on Wed Apr 02 11:28:43 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER