NELONICLINE N-OXIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H19N3O2S
Molecular Weight	329.417
Optical Activity	( + / - )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[O-][N@@+]12C[C@H]3C[C@@H](C1)[C@H](OC4=NN=C(S4)C5=CC=CC=C5)[C@H](C3)C2

InChI

InChIKey=TURODTRWWOIDRA-XOIGWNPZSA-N

InChI=1S/C17H19N3O2S/c21-20-8-11-6-13(9-20)15(14(7-11)10-20)22-17-19-18-16(23-17)12-4-2-1-3-5-12/h1-5,11,13-15H,6-10H2/t11-,13-,14+,15-,20-

HIDE SMILES / InChI

Molecular Formula	C17H19N3O2S
Molecular Weight	329.417
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:32:13 GMT 2025` Edited by `admin` on `Wed Apr 02 09:32:13 GMT 2025`
Record UNII	5NUU54VZ6P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NELONICLINE N-OXIDE

Common Name

English

ABT-126 METABOLITE M1

Preferred Name

English

1-AZATRICYCLO(3.3.1.13,7)DECANE, 4-((5-PHENYL-1,3,4-THIADIAZOL-2-YL)OXY)-, 1-OXIDE

Systematic Name

English

4-((5-PHENYL-1,3,4-THIADIAZOL-2-YL)OXY)-1-AZATRICYCLO(3.3.1.13,7)DECANE 1-OXIDE

Systematic Name

English

((1S,3R,4S,5S,7S)-4-((5-PHENYL-(1,3,4)THIADIAZOL-2-YL)OXY)-1-AZAADAMANTANE-1-OXIDE)

Systematic Name

English

Code System Code Type Description

FDA UNII

5NUU54VZ6P

Created by admin on Wed Apr 02 09:32:13 GMT 2025 , Edited by admin on Wed Apr 02 09:32:13 GMT 2025

PRIMARY

CAS

1026134-64-4

Created by admin on Wed Apr 02 09:32:13 GMT 2025 , Edited by admin on Wed Apr 02 09:32:13 GMT 2025

PRIMARY

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