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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H37NO4.ClH
Molecular Weight	560.123
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

Cl.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=QZCKTSVMJCTRAZ-HWVFYUPGSA-N

InChI=1S/C34H37NO4.ClH/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;1H/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

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

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 20:00:59 GMT 2025` Edited by `admin` on `Wed Apr 02 20:00:59 GMT 2025`
Record UNII	K4566TXA7C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

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

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

K4566TXA7C

Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025

PRIMARY

CAS

72983-76-7

Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025

PRIMARY

PUBCHEM

71752407

Created by admin on Wed Apr 02 20:00:59 GMT 2025 , Edited by admin on Wed Apr 02 20:00:59 GMT 2025

PRIMARY

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