NELONICLINE CITRATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H19N3OS.C6H8O7
Molecular Weight	505.541
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=JIGJENFBLHIYGW-NOMIPIDJSA-N

InChI=1S/C17H19N3OS.C6H8O7/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;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-5,11,13-15H,6-10H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,13-,14+,15-;

HIDE SMILES / InChI

Molecular Formula	C6H8O7
Molecular Weight	192.1235
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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 16 00:43:57 UTC 2023` Edited by `admin` on `Sat Dec 16 00:43:57 UTC 2023`
Record UNII	5SJ035Q1BQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NELONICLINE CITRATE

Common Name

English

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

Systematic Name

English

2-((3R,4S,5S,7S)-1-AZAADAMANTAN-4-YLOXY)-5-PHENYL-1,3,4-THIADIAZOLE 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE

Systematic Name

English

1-AZATRICYCLO(3.3.1.13,7)DECANE, 4-((5-PHENYL-1,3,4-THIADIAZOL-2-YL)OXY)-, STEREOISOMER, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

Systematic Name

English

Nelonicline citrate [WHO-DD]

Common Name

English

ABT-126 CITRATE

Common Name

English

Code System Code Type Description

PUBCHEM

78425850

Created by admin on Sat Dec 16 00:43:57 UTC 2023 , Edited by admin on Sat Dec 16 00:43:57 UTC 2023

PRIMARY

CAS

1627957-66-7

Created by admin on Sat Dec 16 00:43:57 UTC 2023 , Edited by admin on Sat Dec 16 00:43:57 UTC 2023

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

5SJ035Q1BQ

Created by admin on Sat Dec 16 00:43:57 UTC 2023 , Edited by admin on Sat Dec 16 00:43:57 UTC 2023

PRIMARY

CAS

1026136-84-4

Created by admin on Sat Dec 16 00:43:57 UTC 2023 , Edited by admin on Sat Dec 16 00:43:57 UTC 2023

PRIMARY

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