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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, (R)-

SMILES

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

InChI

InChIKey=WLOBUUJURNEQCL-QGZVFWFLSA-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-/m1/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 Sat Dec 16 11:09:55 UTC 2023
Edited
by admin
on Sat Dec 16 11:09:55 UTC 2023
Record UNII
JV96RZY99Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
D-617, (R)-
Common Name English
(αR)-3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile
Systematic Name English
(2R)-2-(3,4-DIMETHOXYPHENYL)-5-(METHYLAMINO)-2-(1-METHYLETHYL)PENTANENITRILE
Systematic Name English
Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, (αR)-
Systematic Name English
(R)-D-617
Code English
Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, (R)-
Systematic Name English
Code System Code Type Description
CAS
38171-36-7
Created by admin on Sat Dec 16 11:09:55 UTC 2023 , Edited by admin on Sat Dec 16 11:09:55 UTC 2023
PRIMARY
FDA UNII
JV96RZY99Z
Created by admin on Sat Dec 16 11:09:55 UTC 2023 , Edited by admin on Sat Dec 16 11:09:55 UTC 2023
PRIMARY
PUBCHEM
13537153
Created by admin on Sat Dec 16 11:09:55 UTC 2023 , Edited by admin on Sat Dec 16 11:09:55 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER