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

Details

Stereochemistry ACHIRAL
Molecular Formula C33H45BrFNO3
Molecular Weight 602.618
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4-BROMOPHENYL)-1-(4-(3-ETHYL-4-FLUOROPHENYL)-4-OXOBUTYL)-PIPERIDIN-4-YL DECANOATE

SMILES

CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)C2=CC=C(F)C(CC)=C2)CC1)C3=CC=C(Br)C=C3

InChI

InChIKey=YQPRNJOSEJKSGZ-UHFFFAOYSA-N
InChI=1S/C33H45BrFNO3/c1-3-5-6-7-8-9-10-13-32(38)39-33(28-15-17-29(34)18-16-28)20-23-36(24-21-33)22-11-12-31(37)27-14-19-30(35)26(4-2)25-27/h14-19,25H,3-13,20-24H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C33H45BrFNO3
Molecular Weight 602.618
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 18:35:42 GMT 2023
Edited
by admin
on Sat Dec 16 18:35:42 GMT 2023
Record UNII
14T81X343E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(4-BROMOPHENYL)-1-(4-(3-ETHYL-4-FLUOROPHENYL)-4-OXOBUTYL)-PIPERIDIN-4-YL DECANOATE
Systematic Name English
BROMPERIDOL DECANOATE IMPURITY C [EP IMPURITY]
Common Name English
3-ETHYL BROMPERIDOL DECANOATE
Common Name English
Code System Code Type Description
PUBCHEM
76964657
Created by admin on Sat Dec 16 18:35:42 GMT 2023 , Edited by admin on Sat Dec 16 18:35:42 GMT 2023
PRIMARY
FDA UNII
14T81X343E
Created by admin on Sat Dec 16 18:35:42 GMT 2023 , Edited by admin on Sat Dec 16 18:35:42 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP