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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H29N3O4S
Molecular Weight 467.58
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MK-499 FREE BASE

SMILES

CS(=O)(=O)NC1=CC2=C(OC3(CCN(CC3)[C@@H]4CCC5=CC(=CC=C5C4)C#N)C[C@H]2O)C=C1

InChI

InChIKey=NIYGLRKUBPNXQS-FYYLOGMGSA-N
InChI=1S/C25H29N3O4S/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21/h2-3,5,7,12,14,21,23,27,29H,4,6,8-11,13,15H2,1H3/t21-,23-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MK-499 FREE BASE
Code English
L-706000 FREE BASE
Code English
METHANESULFONAMIDE, N-(1'-(6-CYANO-1,2,3,4-TETRAHYDRO-2-NAPHTHALENYL)-3,4-DIHYDRO-4-HYDROXYSPIRO(2H-1-BENZOPYRAN-2,4'-PIPERIDIN)-6-YL)-, (R-(R*,R*))
Systematic Name English
Code System Code Type Description
PUBCHEM
9934294
Created by admin on Sat Dec 16 09:04:50 GMT 2023 , Edited by admin on Sat Dec 16 09:04:50 GMT 2023
PRIMARY
CAS
161799-18-4
Created by admin on Sat Dec 16 09:04:50 GMT 2023 , Edited by admin on Sat Dec 16 09:04:50 GMT 2023
PRIMARY
FDA UNII
OM3KJ27ATS
Created by admin on Sat Dec 16 09:04:50 GMT 2023 , Edited by admin on Sat Dec 16 09:04:50 GMT 2023
PRIMARY