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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H23FN2O2
Molecular Weight 366.4286
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROLUPERIDONE

SMILES

FC1=CC=C(C=C1)C(=O)CN2CCC(CN3CC4=C(C=CC=C4)C3=O)CC2

InChI

InChIKey=RNRYULFRLCBRQS-UHFFFAOYSA-N
InChI=1S/C22H23FN2O2/c23-19-7-5-17(6-8-19)21(26)15-24-11-9-16(10-12-24)13-25-14-18-3-1-2-4-20(18)22(25)27/h1-8,16H,9-15H2

HIDE SMILES / InChI

Molecular Formula C22H23FN2O2
Molecular Weight 366.4286
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 07:09:53 UTC 2023
Edited
by admin
on Sat Dec 16 07:09:53 UTC 2023
Record UNII
4P31I0M3BF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROLUPERIDONE
USAN   INN  
Official Name English
MIN-101 FREE BASE
Code English
ROLUPERIDONE [USAN]
Common Name English
2-({1-[2-(4-Fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-one
Systematic Name English
FMI
Code English
CYR-101
Code English
roluperidone [INN]
Common Name English
1H-ISOINDOL-1-ONE, 2-((1-(2-(4-FLUOROPHENYL)-2-OXOETHYL)-4-PIPERIDINYL)METHYL)-2,3-DIHYDRO-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
CYR-101
Created by admin on Sat Dec 16 07:09:54 UTC 2023 , Edited by admin on Sat Dec 16 07:09:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID10189512
Created by admin on Sat Dec 16 07:09:53 UTC 2023 , Edited by admin on Sat Dec 16 07:09:53 UTC 2023
PRIMARY
USAN
EF-67
Created by admin on Sat Dec 16 07:09:54 UTC 2023 , Edited by admin on Sat Dec 16 07:09:54 UTC 2023
PRIMARY
FDA UNII
4P31I0M3BF
Created by admin on Sat Dec 16 07:09:54 UTC 2023 , Edited by admin on Sat Dec 16 07:09:54 UTC 2023
PRIMARY
PUBCHEM
9799284
Created by admin on Sat Dec 16 07:09:54 UTC 2023 , Edited by admin on Sat Dec 16 07:09:54 UTC 2023
PRIMARY
DRUG BANK
DB13080
Created by admin on Sat Dec 16 07:09:53 UTC 2023 , Edited by admin on Sat Dec 16 07:09:53 UTC 2023
PRIMARY
CAS
359625-79-9
Created by admin on Sat Dec 16 07:09:53 UTC 2023 , Edited by admin on Sat Dec 16 07:09:53 UTC 2023
PRIMARY
INN
10810
Created by admin on Sat Dec 16 07:09:54 UTC 2023 , Edited by admin on Sat Dec 16 07:09:54 UTC 2023
PRIMARY
SMS_ID
100000183602
Created by admin on Sat Dec 16 07:09:54 UTC 2023 , Edited by admin on Sat Dec 16 07:09:54 UTC 2023
PRIMARY
NCI_THESAURUS
C166772
Created by admin on Sat Dec 16 07:09:54 UTC 2023 , Edited by admin on Sat Dec 16 07:09:54 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY