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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22FN3O2.C4H4O4
Molecular Weight 495.4995
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BELAPERIDONE FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.[H][C@]12C[C@H](C3=CC=C(F)C=C3)[C@@]1([H])CN(CCN4C(=O)NC5=C(C=CC=C5)C4=O)C2

InChI

InChIKey=CTDAYPHDLBRZJD-MOKUWYDTSA-N
InChI=1S/C22H22FN3O2.C4H4O4/c23-16-7-5-14(6-8-16)18-11-15-12-25(13-19(15)18)9-10-26-21(27)17-3-1-2-4-20(17)24-22(26)28;5-3(6)1-2-4(7)8/h1-8,15,18-19H,9-13H2,(H,24,28);1-2H,(H,5,6)(H,7,8)/b;2-1+/t15-,18-,19+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C22H22FN3O2
Molecular Weight 379.4274
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 16 20:00:22 UTC 2022
Edited
by admin
on Fri Dec 16 20:00:22 UTC 2022
Record UNII
S0QAR4Z7QJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BELAPERIDONE FUMARATE
Common Name English
LU-111995 FUMARATE
Code English
2,4(1H,3H)-QUINAZOLINEDIONE, 3-(2-((1S,5R,6S)-6-(4-FLUOROPHENYL)-3-AZABICYCLO(3.2.0)HEPT-3-YL)ETHYL)-, (2E)-2-BUTENEDIOATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
S0QAR4Z7QJ
Created by admin on Fri Dec 16 20:00:22 UTC 2022 , Edited by admin on Fri Dec 16 20:00:22 UTC 2022
PRIMARY
CAS
345226-68-8
Created by admin on Fri Dec 16 20:00:22 UTC 2022 , Edited by admin on Fri Dec 16 20:00:22 UTC 2022
PRIMARY
PUBCHEM
9957431
Created by admin on Fri Dec 16 20:00:22 UTC 2022 , Edited by admin on Fri Dec 16 20:00:22 UTC 2022
PRIMARY
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