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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, (S,S)-

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-GMAHTHKFSA-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-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H29N3O4S
Molecular Weight 467.58
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:43:57 GMT 2023
Edited
by admin
on Sat Dec 16 13:43:57 GMT 2023
Record UNII
02Y8Z15SDI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MK-499 FREE BASE, (S,S)-
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)-, (S-(R*,R*))-
Code English
L-706000 FREE BASE, (S,S)-
Code English
Code System Code Type Description
FDA UNII
02Y8Z15SDI
Created by admin on Sat Dec 16 13:43:57 GMT 2023 , Edited by admin on Sat Dec 16 13:43:57 GMT 2023
PRIMARY
CAS
159516-01-5
Created by admin on Sat Dec 16 13:43:57 GMT 2023 , Edited by admin on Sat Dec 16 13:43:57 GMT 2023
PRIMARY
PUBCHEM
67705386
Created by admin on Sat Dec 16 13:43:57 GMT 2023 , Edited by admin on Sat Dec 16 13:43:57 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER