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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H24N2O2
Molecular Weight 276.374
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of D-717, (S)-

SMILES

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

InChI

InChIKey=VNRFDZGJCSCHFU-INIZCTEOSA-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/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H24N2O2
Molecular Weight 276.374
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 10:53:43 GMT 2023
Edited
by admin
on Sat Dec 16 10:53:43 GMT 2023
Record UNII
Q6HU9NB44M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
D-717, (S)-
Common Name English
(S)-D 717
Code English
BENZENEACETONITRILE, 4-HYDROXY-3-METHOXY-.ALPHA.-(3-(METHYLAMINO)PROPYL)-.ALPHA.-(1-METHYLETHYL)-, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
Q6HU9NB44M
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
129171-58-0
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
PUBCHEM
91810612
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