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Details

Stereochemistry ACHIRAL
Molecular Formula C22H23FN2O2.ClH.2H2O
Molecular Weight 438.92
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROLUPERIDONE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=NZKANSJXJCILHS-UHFFFAOYSA-N
InChI=1S/C22H23FN2O2.ClH.2H2O/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;1H;2*1H2

HIDE SMILES / InChI
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
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
Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:30:15 UTC 2023
Edited
by admin
on Fri Dec 15 15:30:15 UTC 2023
Record UNII
WFL7TF8DTP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROLUPERIDONE HYDROCHLORIDE
USAN  
Official Name English
1H-ISOINDOL-1-ONE, 2-((1-(2-(4-FLUOROPHENYL)-2-OXOETHYL)-4-PIPERIDINYL)METHYL)-2,3-DIHYDRO-, HYDROCHLORIDE, HYDRATE (1:1:2)
Systematic Name English
2-({1-[2-(4-Fluorophenyl)-2-oxoethyl]piperidin-4-yl}methyl)-2,3-dihydro-1H-isoindol-1-one monohydrochloride dihydrate
Systematic Name English
ROLUPERIDONE HYDROCHLORIDE [USAN]
Common Name English
CYR-101 HYDROCHLORIDE DIHYDRATE
Code English
MT-210
Code English
MIN-101
Code English
Code System Code Type Description
DRUG BANK
DBSALT002798
Created by admin on Fri Dec 15 15:30:15 UTC 2023 , Edited by admin on Fri Dec 15 15:30:15 UTC 2023
PRIMARY
PUBCHEM
21078080
Created by admin on Fri Dec 15 15:30:15 UTC 2023 , Edited by admin on Fri Dec 15 15:30:15 UTC 2023
PRIMARY
CAS
1937215-88-7
Created by admin on Fri Dec 15 15:30:15 UTC 2023 , Edited by admin on Fri Dec 15 15:30:15 UTC 2023
PRIMARY
SMS_ID
100000178096
Created by admin on Fri Dec 15 15:30:15 UTC 2023 , Edited by admin on Fri Dec 15 15:30:15 UTC 2023
PRIMARY
FDA UNII
WFL7TF8DTP
Created by admin on Fri Dec 15 15:30:15 UTC 2023 , Edited by admin on Fri Dec 15 15:30:15 UTC 2023
PRIMARY
EVMPD
SUB193660
Created by admin on Fri Dec 15 15:30:15 UTC 2023 , Edited by admin on Fri Dec 15 15:30:15 UTC 2023
PRIMARY
NCI_THESAURUS
C170371
Created by admin on Fri Dec 15 15:30:15 UTC 2023 , Edited by admin on Fri Dec 15 15:30:15 UTC 2023
PRIMARY
USAN
EF-68
Created by admin on Fri Dec 15 15:30:15 UTC 2023 , Edited by admin on Fri Dec 15 15:30:15 UTC 2023
PRIMARY
Related Record Type Details
Structure of ROLUPERIDONE
PARENT -> SALT/SOLVATE
Structure of ROLUPERIDONE HYDROCHLORIDE ANHYDROUS
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of ROLUPERIDONE
ACTIVE MOIETY
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