NELONICLINE

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

Structure Search

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

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 00:44:03 UTC 2023` Edited by `admin` on `Sat Dec 16 00:44:03 UTC 2023`
Record UNII	WX8LOM674D
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NELONICLINE

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 16 00:44:03 UTC 2023 , Edited by admin on Sat Dec 16 00:44:03 UTC 2023

PRIMARY

SMS_ID

300000036951

Created by admin on Sat Dec 16 00:44:03 UTC 2023 , Edited by admin on Sat Dec 16 00:44:03 UTC 2023

PRIMARY

CAS

1620388-44-4

Created by admin on Sat Dec 16 00:44:03 UTC 2023 , Edited by admin on Sat Dec 16 00:44:03 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

24795933

Created by admin on Sat Dec 16 00:44:03 UTC 2023 , Edited by admin on Sat Dec 16 00:44:03 UTC 2023

PRIMARY

FDA UNII

WX8LOM674D

Created by admin on Sat Dec 16 00:44:03 UTC 2023 , Edited by admin on Sat Dec 16 00:44:03 UTC 2023

PRIMARY

CAS

1026134-63-3

Created by admin on Sat Dec 16 00:44:03 UTC 2023 , Edited by admin on Sat Dec 16 00:44:03 UTC 2023

PRIMARY

INN

9998

Created by admin on Sat Dec 16 00:44:03 UTC 2023 , Edited by admin on Sat Dec 16 00:44:03 UTC 2023

PRIMARY

CAS

1026687-03-5

Created by admin on Sat Dec 16 00:44:03 UTC 2023 , Edited by admin on Sat Dec 16 00:44:03 UTC 2023

ALTERNATIVE

NCI_THESAURUS

C170209

Created by admin on Sat Dec 16 00:44:03 UTC 2023 , Edited by admin on Sat Dec 16 00:44:03 UTC 2023

PRIMARY

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ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				SINGLE ORAL DOSE

Biological Half-life	PHARMACOKINETIC				SINGLE ORAL DOSE