Donepezil open-ring keto acid hydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H29NO5.ClH
Molecular Weight	447.952
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Donepezil open-ring keto acid hydrochloride

Structure Search

SMILES

Cl.COC1=CC(CC(=O)CC2CCN(CC3=CC=CC=C3)CC2)=C(C=C1OC)C(O)=O

InChI

InChIKey=XNMHFBDLCRKDRB-UHFFFAOYSA-N

InChI=1S/C24H29NO5.ClH/c1-29-22-14-19(21(24(27)28)15-23(22)30-2)13-20(26)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18;/h3-7,14-15,17H,8-13,16H2,1-2H3,(H,27,28);1H

HIDE SMILES / InChI

Molecular Formula	C24H29NO5
Molecular Weight	411.4908
Charge	0
Count

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

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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:55:08 GMT 2023` Edited by `admin` on `Sat Dec 16 19:55:08 GMT 2023`
Record UNII	9UKQ7CVT5P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Donepezil open-ring keto acid hydrochloride

Common Name

English

2-[3-(1-Benzylpiperidin-4-yl)-2-oxopropyl]-4,5-dimethoxybenzoic acid hydrochloride

Systematic Name

English

Benzoic acid, 4,5-dimethoxy-2-[2-oxo-3-[1-(phenylmethyl)-4-piperidinyl]propyl]-, hydrochloride (1:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

9UKQ7CVT5P

Created by admin on Sat Dec 16 19:55:08 GMT 2023 , Edited by admin on Sat Dec 16 19:55:08 GMT 2023

PRIMARY

CAS

2217617-87-1

Created by admin on Sat Dec 16 19:55:08 GMT 2023 , Edited by admin on Sat Dec 16 19:55:08 GMT 2023

PRIMARY

Related Record Type Details


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DONEPEZIL OPEN-RING KETO ACID

PARENT -> SALT/SOLVATE

Amount: