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Details

Stereochemistry ACHIRAL
Molecular Formula C24H25FN4O2
Molecular Weight 420.4793
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OCAPERIDONE

SMILES

CC1=CC=CN2C(=O)C(CCN3CCC(CC3)C4=NOC5=C4C=CC(F)=C5)=C(C)N=C12

InChI

InChIKey=ZZQNEJILGNNOEP-UHFFFAOYSA-N
InChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C24H25FN4O2
Molecular Weight 420.4793
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 Fri Dec 15 15:50:37 UTC 2023
Edited
by admin
on Fri Dec 15 15:50:37 UTC 2023
Record UNII
26HUS7139V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OCAPERIDONE
INN   USAN  
USAN   INN  
Official Name English
4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE, 3-(2-(4-(6-FLUORO-1,2-BENZISOXAZOL-3-YL)-1-PIPERIDINYL)ETHYL)-2,9-DIMETHYL-
Systematic Name English
3-[2-[4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino]ethyl]-2,9-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
Systematic Name English
OCAPERIDONE [USAN]
Common Name English
R-79598
Code English
ocaperidone [INN]
Common Name English
R 79598
Code English
Classification Tree Code System Code
NCI_THESAURUS C29710
Created by admin on Fri Dec 15 15:50:37 UTC 2023 , Edited by admin on Fri Dec 15 15:50:37 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL2104619
Created by admin on Fri Dec 15 15:50:37 UTC 2023 , Edited by admin on Fri Dec 15 15:50:37 UTC 2023
PRIMARY
EVMPD
SUB09395MIG
Created by admin on Fri Dec 15 15:50:37 UTC 2023 , Edited by admin on Fri Dec 15 15:50:37 UTC 2023
PRIMARY
SMS_ID
100000083610
Created by admin on Fri Dec 15 15:50:37 UTC 2023 , Edited by admin on Fri Dec 15 15:50:37 UTC 2023
PRIMARY
USAN
FF-49
Created by admin on Fri Dec 15 15:50:37 UTC 2023 , Edited by admin on Fri Dec 15 15:50:37 UTC 2023
PRIMARY
FDA UNII
26HUS7139V
Created by admin on Fri Dec 15 15:50:37 UTC 2023 , Edited by admin on Fri Dec 15 15:50:37 UTC 2023
PRIMARY
WIKIPEDIA
Ocaperidone
Created by admin on Fri Dec 15 15:50:37 UTC 2023 , Edited by admin on Fri Dec 15 15:50:37 UTC 2023
PRIMARY
INN
6679
Created by admin on Fri Dec 15 15:50:37 UTC 2023 , Edited by admin on Fri Dec 15 15:50:37 UTC 2023
PRIMARY
PUBCHEM
71351
Created by admin on Fri Dec 15 15:50:37 UTC 2023 , Edited by admin on Fri Dec 15 15:50:37 UTC 2023
PRIMARY
CAS
129029-23-8
Created by admin on Fri Dec 15 15:50:37 UTC 2023 , Edited by admin on Fri Dec 15 15:50:37 UTC 2023
PRIMARY
DRUG BANK
DB06229
Created by admin on Fri Dec 15 15:50:37 UTC 2023 , Edited by admin on Fri Dec 15 15:50:37 UTC 2023
PRIMARY
EPA CompTox
DTXSID10156042
Created by admin on Fri Dec 15 15:50:37 UTC 2023 , Edited by admin on Fri Dec 15 15:50:37 UTC 2023
PRIMARY
NCI_THESAURUS
C76441
Created by admin on Fri Dec 15 15:50:37 UTC 2023 , Edited by admin on Fri Dec 15 15:50:37 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> AGONIST
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY