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Details

Stereochemistry ACHIRAL
Molecular Formula C12H13FN2O.ClH
Molecular Weight 256.704
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of R-56109 HYDROCHLORIDE

SMILES

Cl.FC1=CC2=C(C=C1)C(=NO2)C3CCNCC3

InChI

InChIKey=CWPSRUREOSBKBQ-UHFFFAOYSA-N
InChI=1S/C12H13FN2O.ClH/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8;/h1-2,7-8,14H,3-6H2;1H

HIDE SMILES / InChI
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C12H13FN2O
Molecular Weight 220.2428
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
PubMed

PubMed

TitleDatePubMed
Synthesis of novel 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole derivatives as antiproliferative agents: a structure-activity relationship study.
2009 Dec
Patents

Patents

04352811
2
04355037
9
04408053
9
04408054
4
04469869
2
04528376
2
05158952
2
05254556
2
05276040
2
05364866
3
05378714
4
05478845
2
05482943
2
05532240
4
05550130
8
05552414
8
05554614
3
05556858
8
05559116
8
05559117
3
05559126
11
05561128
8
05569653
3
05571803
3
05571814
10
05571828
3
05574032
3
05578605
4
05578624
8
05580875
7
05580879
6
05580886
4
05580887
4
05580890
9
05580891
6
05583145
3
05589488
8
05589494
3
05589495
3
05591745
8
05593995
7
05597842
3
05599821
3
05624927
3
05629326
3
05854263
3
06110921
2
06544559
2
06750341
3
07118763
2
07601716
11
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:55:34 UTC 2023
Edited
by admin
on Sat Dec 16 08:55:34 UTC 2023
Record UNII
X3U18DS1Y7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
R-56109 HYDROCHLORIDE
Common Name English
1,2-BENZISOXAZOLE, 6-FLUORO-3-(4-PIPERIDINYL)-, HYDROCHLORIDE (1:1)
Systematic Name English
PALIPERIDONE RELATED COMPOUND B [USP-RS]
Common Name English
PALIPERIDONE RELATED COMPOUND B
USP-RS  
Common Name English
6-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE MONOHYDROCHLORIDE
Systematic Name English
4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)PIPERIDINE HYDROCHLORIDE
Systematic Name English
6-FLUORO-3-(4-PIPERIDINYL)-1,2-BENZISOXAZOLE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
11334359
Created by admin on Sat Dec 16 08:55:34 UTC 2023 , Edited by admin on Sat Dec 16 08:55:34 UTC 2023
PRIMARY
FDA UNII
X3U18DS1Y7
Created by admin on Sat Dec 16 08:55:34 UTC 2023 , Edited by admin on Sat Dec 16 08:55:34 UTC 2023
PRIMARY
RS_ITEM_NUM
1491820
Created by admin on Sat Dec 16 08:55:34 UTC 2023 , Edited by admin on Sat Dec 16 08:55:34 UTC 2023
PRIMARY
EPA CompTox
DTXSID90233082
Created by admin on Sat Dec 16 08:55:34 UTC 2023 , Edited by admin on Sat Dec 16 08:55:34 UTC 2023
PRIMARY
CAS
84163-13-3
Created by admin on Sat Dec 16 08:55:34 UTC 2023 , Edited by admin on Sat Dec 16 08:55:34 UTC 2023
PRIMARY
Related Record Type Details
Structure of R-56109
PARENT -> SALT/SOLVATE
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