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Details

Stereochemistry ACHIRAL
Molecular Formula C22H23FN2O2.ClH
Molecular Weight 402.89
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ROLUPERIDONE HYDROCHLORIDE ANHYDROUS

SMILES

Cl.FC1=CC=C(C=C1)C(=O)CN2CCC(CN3CC4=CC=CC=C4C3=O)CC2

InChI

InChIKey=BDPRUATYXHSLAM-UHFFFAOYSA-N
InChI=1S/C22H23FN2O2.ClH/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

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

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:05:40 UTC 2023
Edited
by admin
on Sat Dec 16 14:05:40 UTC 2023
Record UNII
Y1S6FQ4I5T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ROLUPERIDONE HYDROCHLORIDE ANHYDROUS
Common Name English
1H-ISOINDOL-1-ONE, 2-((1-(2-(4-FLUOROPHENYL)-2-OXOETHYL)-4-PIPERIDINYL)METHYL)-2,3-DIHYDRO-, MONOHYDROCHLORIDE
Systematic Name English
1H-ISOINDOL-1-ONE, 2-((1-(2-(4-FLUOROPHENYL)-2-OXOETHYL)-4-PIPERIDINYL)METHYL)-2,3-DIHYDRO-, HYDROCHLORIDE (1:1)
Systematic Name English
CYR-101 HYDROCHLORIDE
Code English
Code System Code Type Description
CAS
359625-80-2
Created by admin on Sat Dec 16 14:05:40 UTC 2023 , Edited by admin on Sat Dec 16 14:05:40 UTC 2023
PRIMARY
PUBCHEM
21078079
Created by admin on Sat Dec 16 14:05:40 UTC 2023 , Edited by admin on Sat Dec 16 14:05:40 UTC 2023
PRIMARY
SMS_ID
100000183348
Created by admin on Sat Dec 16 14:05:40 UTC 2023 , Edited by admin on Sat Dec 16 14:05:40 UTC 2023
PRIMARY
EVMPD
SUB197737
Created by admin on Sat Dec 16 14:05:40 UTC 2023 , Edited by admin on Sat Dec 16 14:05:40 UTC 2023
PRIMARY
FDA UNII
Y1S6FQ4I5T
Created by admin on Sat Dec 16 14:05:40 UTC 2023 , Edited by admin on Sat Dec 16 14:05:40 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS