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Details

Stereochemistry EPIMERIC
Molecular Formula C29H35NO9
Molecular Weight 541.5895
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-O-DESMETHYLDONEPEZIL GLUCURONIDE

SMILES

COC1=CC2=C(CC(CC3CCN(CC4=CC=CC=C4)CC3)C2=O)C=C1O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=UBLKQFQMHFDJGO-XDBQMMMZSA-N
InChI=1S/C29H35NO9/c1-37-21-14-20-18(13-22(21)38-29-26(34)24(32)25(33)27(39-29)28(35)36)12-19(23(20)31)11-16-7-9-30(10-8-16)15-17-5-3-2-4-6-17/h2-6,13-14,16,19,24-27,29,32-34H,7-12,15H2,1H3,(H,35,36)/t19?,24-,25-,26+,27-,29+/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H35NO9
Molecular Weight 541.5895
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:47:11 UTC 2023
Edited
by admin
on Sat Dec 16 08:47:11 UTC 2023
Record UNII
97R9M0LYM7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-O-DESMETHYLDONEPEZIL GLUCURONIDE
Common Name English
DONEPEZIL (METABOLITE 12 GLUCURONIDE)
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2,3-DIHYDRO-6-METHOXY-1-OXO-2-((1-(PHENYLMETHYL)-4-PIPERIDINYL)METHYL)-1H-INDEN-5-YL
Systematic Name English
5-O-DESMETHYL DONEPEZIL .BETA.-D-GLUCURONIDE
Common Name English
5-O-DESMETHYL DONEPEZIL GLUCURONIDE
Common Name English
Code System Code Type Description
FDA UNII
97R9M0LYM7
Created by admin on Sat Dec 16 08:47:11 UTC 2023 , Edited by admin on Sat Dec 16 08:47:11 UTC 2023
PRIMARY
PUBCHEM
91668169
Created by admin on Sat Dec 16 08:47:11 UTC 2023 , Edited by admin on Sat Dec 16 08:47:11 UTC 2023
PRIMARY
CAS
220170-74-1
Created by admin on Sat Dec 16 08:47:11 UTC 2023 , Edited by admin on Sat Dec 16 08:47:11 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE