Deoxynojirimycin tetrabenzyl ether

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H37NO4
Molecular Weight	523.6619
Optical Activity	( + )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Deoxynojirimycin tetrabenzyl ether

Structure Search

SMILES

C(OCC1=CC=CC=C1)[C@H]2NC[C@H](OCC3=CC=CC=C3)[C@@H](OCC4=CC=CC=C4)[C@@H]2OCC5=CC=CC=C5

InChI

InChIKey=HHIIDKLQTCPFQA-KMKAFXEASA-N

InChI=1S/C34H37NO4/c1-5-13-27(14-6-1)22-36-26-31-33(38-24-29-17-9-3-10-18-29)34(39-25-30-19-11-4-12-20-30)32(21-35-31)37-23-28-15-7-2-8-16-28/h1-20,31-35H,21-26H2/t31-,32+,33-,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H37NO4
Molecular Weight	523.6619
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Butyrylcholinesterase 45 Target ID: CHEMBL1914 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25597004	Inhibitor 8504		2.0 µM [IC50]
Acetylcholinesterase 209 Target ID: CHEMBL4078 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25597004	Inhibitor 8504		3.0 µM [IC50]

PubMed

Title	Date	PubMed
Iminosugars as a new class of cholinesterase inhibitors.	2015-02-15	25597004

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:20:34 GMT 2025` Edited by `admin` on `Wed Apr 02 20:20:34 GMT 2025`
Record UNII	CXN5WZQ882
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Deoxynojirimycin tetrabenzyl ether

Common Name

English

2,3,4,6-Tetra-O-benzyl-1-D-gluco-deoxynojirimycin

Preferred Name

English

(2R,3R,4R,5S)-3,4,5-Tris(phenylmethoxy)-2-[(phenylmethoxy)methyl]piperidine

Systematic Name

English

Piperidine, 3,4,5-tris(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, [2R-(2?,3?,4?,5?)]-

Systematic Name

English

Piperidine, 3,4,5-tris(phenylmethoxy)-2-[(phenylmethoxy)methyl]-, (2R,3R,4R,5S)-

Systematic Name

English

Code System Code Type Description

CAS

69567-11-9

Created by admin on Wed Apr 02 20:20:34 GMT 2025 , Edited by admin on Wed Apr 02 20:20:34 GMT 2025

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PUBCHEM

11027759

Created by admin on Wed Apr 02 20:20:34 GMT 2025 , Edited by admin on Wed Apr 02 20:20:34 GMT 2025

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EPA CompTox

DTXSID10452394

Created by admin on Wed Apr 02 20:20:34 GMT 2025 , Edited by admin on Wed Apr 02 20:20:34 GMT 2025

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FDA UNII

CXN5WZQ882

Created by admin on Wed Apr 02 20:20:34 GMT 2025 , Edited by admin on Wed Apr 02 20:20:34 GMT 2025

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3,4,5-Tris(benzyloxy)-2-((benzyloxy)methyl)piperidine hydrochloride, (2R,3R,4R,5S)-

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