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Details

Stereochemistry ACHIRAL
Molecular Formula C41H52N4O5S.CH4O3S
Molecular Weight 809.046
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-[4-(2-Butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-N-[4-[[(1-propyl-1H-imidazol-5-yl)methyl]sulfonyl]phenyl]-1-benzazocine-5-carboxamide methanesulfonate

SMILES

CS(O)(=O)=O.CCCCOCCOC1=CC=C(C=C1)C2=CC=C3N(CC(C)C)CCCC(=CC3=C2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)CC5=CN=CN5CCC

InChI

InChIKey=GMVYSCSXKLWDOL-WNRKZQPVSA-N
InChI=1S/C41H52N4O5S.CH4O3S/c1-5-7-22-49-23-24-50-38-15-10-32(11-16-38)33-12-19-40-35(25-33)26-34(9-8-21-44(40)28-31(3)4)41(46)43-36-13-17-39(18-14-36)51(47,48)29-37-27-42-30-45(37)20-6-2;1-5(2,3)4/h10-19,25-27,30-31H,5-9,20-24,28-29H2,1-4H3,(H,43,46);1H3,(H,2,3,4)/b34-26+;

HIDE SMILES / InChI

Approval Year

Name Type Language
Cenicriviroc sulfone methanesulfonate
Preferred Name English
8-[4-(2-Butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-N-[4-[[(1-propyl-1H-imidazol-5-yl)methyl]sulfonyl]phenyl]-1-benzazocine-5-carboxamide methanesulfonate
Systematic Name English
1-Benzazocine-5-carboxamide, 8-[4-(2-butoxyethoxy)phenyl]-1,2,3,4-tetrahydro-1-(2-methylpropyl)-N-[4-[[(1-propyl-1H-imidazol-5-yl)methyl]sulfonyl]phenyl]-, compd. with methanesulfonate (1:1)
Systematic Name English
Code System Code Type Description
CAS
1956339-79-9
Created by admin on Wed Apr 02 17:27:10 GMT 2025 , Edited by admin on Wed Apr 02 17:27:10 GMT 2025
PRIMARY
PUBCHEM
132231102
Created by admin on Wed Apr 02 17:27:10 GMT 2025 , Edited by admin on Wed Apr 02 17:27:10 GMT 2025
PRIMARY
FDA UNII
5CA7P74Y2Y
Created by admin on Wed Apr 02 17:27:10 GMT 2025 , Edited by admin on Wed Apr 02 17:27:10 GMT 2025
PRIMARY