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

Details

Stereochemistry RACEMIC
Molecular Formula C17H19N3OS
Molecular Weight 313.417
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NELONICLINE

SMILES

C1[C@H]2C[C@@H]3CN(C2)C[C@H]1[C@@H]3OC4=NN=C(S4)C5=CC=CC=C5

InChI

InChIKey=QZDCYUCETTWCMO-WTGKZIDZSA-N
InChI=1S/C17H19N3OS/c1-2-4-12(5-3-1)16-18-19-17(22-16)21-15-13-6-11-7-14(15)10-20(8-11)9-13/h1-5,11,13-15H,6-10H2/t11-,13-,14+,15-

HIDE SMILES / InChI

Molecular Formula C17H19N3OS
Molecular Weight 313.417
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 17 10:58:54 UTC 2022
Edited
by admin
on Sat Dec 17 10:58:54 UTC 2022
Record UNII
WX8LOM674D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NELONICLINE
INN   WHO-DD  
INN  
Official Name English
ABT-126
Code English
2-((3R,4S,5S,7S)-1-AZAADAMANTAN-4-YLOXY)-5-PHENYL-1,3,4-THIADIAZOLE, REL-
Systematic Name English
nelonicline [INN]
Common Name English
Nelonicline [WHO-DD]
Common Name English
Code System Code Type Description
ChEMBL
CHEMBL3545231
Created by admin on Sat Dec 17 10:58:55 UTC 2022 , Edited by admin on Sat Dec 17 10:58:55 UTC 2022
PRIMARY
CAS
1620388-44-4
Created by admin on Sat Dec 17 10:58:55 UTC 2022 , Edited by admin on Sat Dec 17 10:58:55 UTC 2022
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
24795933
Created by admin on Sat Dec 17 10:58:55 UTC 2022 , Edited by admin on Sat Dec 17 10:58:55 UTC 2022
PRIMARY
FDA UNII
WX8LOM674D
Created by admin on Sat Dec 17 10:58:55 UTC 2022 , Edited by admin on Sat Dec 17 10:58:55 UTC 2022
PRIMARY
CAS
1026134-63-3
Created by admin on Sat Dec 17 10:58:55 UTC 2022 , Edited by admin on Sat Dec 17 10:58:55 UTC 2022
PRIMARY
INN
9998
Created by admin on Sat Dec 17 10:58:55 UTC 2022 , Edited by admin on Sat Dec 17 10:58:55 UTC 2022
PRIMARY
CAS
1026687-03-5
Created by admin on Sat Dec 17 10:58:55 UTC 2022 , Edited by admin on Sat Dec 17 10:58:55 UTC 2022
ALTERNATIVE
NCI_THESAURUS
C170209
Created by admin on Sat Dec 17 10:58:55 UTC 2022 , Edited by admin on Sat Dec 17 10:58:55 UTC 2022
PRIMARY
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