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Details

Stereochemistry EPIMERIC
Molecular Formula C17H21NO5.BrH
Molecular Weight 400.264
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOPOLAMINE N-OXIDE HYDROBROMIDE

SMILES

Br.C[N@@+]1([O-])[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@@H]23)OC(=O)[C@H](CO)C4=CC=CC=C4

InChI

InChIKey=MGNNYKWRWHQLCR-FDJOISAFSA-N
InChI=1S/C17H21NO5.BrH/c1-18(21)13-7-11(8-14(18)16-15(13)23-16)22-17(20)12(9-19)10-5-3-2-4-6-10;/h2-6,11-16,19H,7-9H2,1H3;1H/t11-,12-,13-,14+,15-,16+,18?;/m1./s1

HIDE SMILES / InChI
Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C17H21NO5
Molecular Weight 319.3523
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 6 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Description
Curator's Comment: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/21006683 | http://journals.tubitak.gov.tr/chem/issues/kim-12-36-2/kim-36-2-5-1108-59.pdf | https://www.ncbi.nlm.nih.gov/pubmed/18218192

Scopolamine Aminoxide Hydrobromide is one of Scopolamine metabolites, with remarkable Acetylcholinesterase inhibitory activity.

Originator

Polonovski, M.|Polonovski, M.
2
Sources: Compt. rend. Volume 180, Pages 1755-7, Journal, 1925

Approval Year

1926
5
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
 37.4 µM [IC50]
Antagonist
2849
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Preventing
Basic research
Unknown

Approved Use

Unknown
Sourcing

Sourcing

Vendor/AggregatorIDURL
AK Scientific
7974AL
AK Scientific
8950AL
Angene
AGN-PC-0WH3XT
AstaTech
T72701
BOC Sciences
6106-81-6
Chem-Impex International
32522
Combi-Blocks
QD-6590
eMolecules
30316245
eMolecules
36553012
eMolecules
48884930
Hangzhou Yuhao Chemical Technology
RT8180
Molnova
M15295
MolPort
MolPort-035-784-817
MolPort
MolPort-039-337-900
NCI Plated 2007
61807
Ryan Scientific
Clofoctol
TargetMol
T2181
Toronto Research Chemicals
S200020
ZINC
ZINC000100133662
http://zinc15.docking.org/substances/ZINC000100133662
ZINC
ZINC000100133665
http://zinc15.docking.org/substances/ZINC000100133665
ZINC
ZINC000100133670
http://zinc15.docking.org/substances/ZINC000100133670
ZINC
ZINC000113334019
http://zinc15.docking.org/substances/ZINC000113334019
ZINC
ZINC000263591623
http://zinc15.docking.org/substances/ZINC000263591623
PubMed

PubMed

TitleDatePubMed
Affinities of the protonated and non-protonated forms of hyoscine and hyoscine N-oxide for muscarinic receptors of the guinea-pig ileum and a comparison of their size in solution with that of atropine.
1981-04
Metabolic N-oxidation of atropine, hyoscine and the corresponding nor-alkaloids by guinea-pig liver microsomal preparations.
1976-09
The comparative toxicity and effectiveness of scopolamine hydrobromide (C17H21O4N.HBr) and scopolamine aminoxide hydrobromide (C17H21O5N HBr).
1945
Patents

Patents

WO201210024
2

Sample Use Guides

In Vivo Use Guide
https://books.google.ru/books?id=mDLYCQAAQBAJ&pg=PA1258&lpg=PA1258&dq=HYOSCINE+N-OXIDE+is+used&source=bl&ots=RU3LXkZpto&sig=87LQi9-Pip7ucsNJZF3j1CRvUBw&hl=ru&sa=X&ved=0ahUKEwj9hdiVl6jPAhUBuBQKHZAyC4M4ChDoAQgoMAI#v=onepage&q=HYOSCINE%20N-OXIDE%20is%20used&f=false
Route of Administration: Oral
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:08:35 GMT 2025
Edited
by admin
on Mon Mar 31 18:08:35 GMT 2025
Record UNII
7E0GR5N4K8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCOPOLAMINE AMINOXIDE HYDROBROMIDE
WHO-DD  
Preferred Name English
SCOPOLAMINE N-OXIDE HYDROBROMIDE
HSDB   MI  
Common Name English
SCOPOLAMINE N-OXIDE HYDROBROMIDE [HSDB]
Common Name English
NSC-61807
Code English
SCOPOLAMINE N-OXIDE HYDROBROMIDE [MI]
Common Name English
SCOPOLAMINE N-OXIDE HBR
Common Name English
Scopolamine aminoxide hydrobromide [WHO-DD]
Common Name English
SCOPOLAMINE AMINOXIDE HBR
Common Name English
Code System Code Type Description
HSDB
6105
Created by admin on Mon Mar 31 18:08:35 GMT 2025 , Edited by admin on Mon Mar 31 18:08:35 GMT 2025
PRIMARY
SMS_ID
100000078421
Created by admin on Mon Mar 31 18:08:35 GMT 2025 , Edited by admin on Mon Mar 31 18:08:35 GMT 2025
PRIMARY
FDA UNII
7E0GR5N4K8
Created by admin on Mon Mar 31 18:08:35 GMT 2025 , Edited by admin on Mon Mar 31 18:08:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID2045101
Created by admin on Mon Mar 31 18:08:35 GMT 2025 , Edited by admin on Mon Mar 31 18:08:35 GMT 2025
PRIMARY
EVMPD
SUB15206MIG
Created by admin on Mon Mar 31 18:08:35 GMT 2025 , Edited by admin on Mon Mar 31 18:08:35 GMT 2025
PRIMARY
ECHA (EC/EINECS)
228-066-8
Created by admin on Mon Mar 31 18:08:35 GMT 2025 , Edited by admin on Mon Mar 31 18:08:35 GMT 2025
PRIMARY
CAS
6106-81-6
Created by admin on Mon Mar 31 18:08:35 GMT 2025 , Edited by admin on Mon Mar 31 18:08:35 GMT 2025
PRIMARY
NSC
61807
Created by admin on Mon Mar 31 18:08:35 GMT 2025 , Edited by admin on Mon Mar 31 18:08:35 GMT 2025
PRIMARY
MERCK INDEX
m9814
Created by admin on Mon Mar 31 18:08:35 GMT 2025 , Edited by admin on Mon Mar 31 18:08:35 GMT 2025
PRIMARY Merck Index
Related Record Type Details
Structure of SCOPOLAMINE N-OXIDE
PARENT -> SALT/SOLVATE
NIH
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