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

Details

Stereochemistry ABSOLUTE
Molecular Formula C45H54FN7O6
Molecular Weight 807.952
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Luxdegalutamide

SMILES

COC1=C(C=CC(O[C@H]2C(C)(C)[C@H](NC(=O)C3=CC=C(C=C3)N4CCC(CN5CCN(CC5)C6=CC(F)=C(C=C6)C(=O)N[C@H]7CCC(=O)NC7=O)CC4)C2(C)C)=C1)C#N

InChI

InChIKey=RDPPBRKNBBXPNZ-FMPIRMQTSA-N
InChI=1S/C45H54FN7O6/c1-44(2)42(45(3,4)43(44)59-33-12-8-30(26-47)37(25-33)58-5)50-39(55)29-6-9-31(10-7-29)52-18-16-28(17-19-52)27-51-20-22-53(23-21-51)32-11-13-34(35(46)24-32)40(56)48-36-14-15-38(54)49-41(36)57/h6-13,24-25,28,36,42-43H,14-23,27H2,1-5H3,(H,48,56)(H,50,55)(H,49,54,57)/t36-,42-,43-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Luxdegalutamide
INCI  
Official Name English
4-[4-[[1-[4-[[[trans-3-(4-Cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]amino]carbonyl]phenyl]-4-piperidinyl]methyl]-1-piperazinyl]-N-[(3S)-2,6-dioxo-3-piperidinyl]-2-fluorobenzamide
Systematic Name English
Benzamide, 4-[4-[[1-[4-[[[trans-3-(4-cyano-3-methoxyphenoxy)-2,2,4,4-tetramethylcyclobutyl]amino]carbonyl]phenyl]-4-piperidinyl]methyl]-1-piperazinyl]-N-[(3S)-2,6-dioxo-3-piperidinyl]-2-fluoro-
Systematic Name English
luxdegalutamide [INN]
Common Name English
Code System Code Type Description
CAS
2750830-09-0
Created by admin on Sat Dec 16 18:33:02 GMT 2023 , Edited by admin on Sat Dec 16 18:33:02 GMT 2023
PRIMARY
INN
12564
Created by admin on Sat Dec 16 18:33:02 GMT 2023 , Edited by admin on Sat Dec 16 18:33:02 GMT 2023
PRIMARY
FDA UNII
5BD7R933PV
Created by admin on Sat Dec 16 18:33:02 GMT 2023 , Edited by admin on Sat Dec 16 18:33:02 GMT 2023
PRIMARY