U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C24H29NO4
Molecular Weight 395.4914
Optical Activity ( + / - )
Defined Stereocenters 2 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DONEPEZIL N-OXIDE, TRANS-

SMILES

COC1=CC2=C(C=C1OC)C(=O)C(C[C@H]3CC[N@@+]([O-])(CC4=CC=CC=C4)CC3)C2

InChI

InChIKey=XRPRYHONRUINMG-ZGSIEPOUSA-N
InChI=1S/C24H29NO4/c1-28-22-14-19-13-20(24(26)21(19)15-23(22)29-2)12-17-8-10-25(27,11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3/t17-,20?,25-

HIDE SMILES / InChI

Molecular Formula C24H29NO4
Molecular Weight 395.4914
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:47:12 UTC 2023
Edited
by admin
on Sat Dec 16 08:47:12 UTC 2023
Record UNII
C870X5D93I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DONEPEZIL N-OXIDE, TRANS-
Common Name English
DONEPEZIL (METABOLITE M6 (TRANS))
Common Name English
1H-INDEN-1-ONE, 2,3-DIHYDRO-5,6-DIMETHOXY-2-((TRANS-1-OXIDO-1-(PHENYLMETHYL)-4-PIPERIDINYL)METHYL)-
Systematic Name English
1H-INDEN-1-ONE, 2,3-DIHYDRO-5,6-DIMETHOXY-2-((1-(PHENYLMETHYL)-4-PIPERIDINYL)METHYL)-, N-OXIDE, TRANS-(±)-
Systematic Name English
Code System Code Type Description
CAS
147427-78-9
Created by admin on Sat Dec 16 08:47:12 UTC 2023 , Edited by admin on Sat Dec 16 08:47:12 UTC 2023
PRIMARY
FDA UNII
C870X5D93I
Created by admin on Sat Dec 16 08:47:12 UTC 2023 , Edited by admin on Sat Dec 16 08:47:12 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE