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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H31FN6O2.CH4O3S
Molecular Weight 586.678
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MK-2295

SMILES

CS(O)(=O)=O.C[C@@H]1CCCN1C2=NC(=CC(=N2)N3CCN(C[C@H]3C)C4=NC=C(C=C4C)C(O)=O)C5=CC=C(F)C=C5

InChI

InChIKey=RYLIMKGOFDRDRX-STYNFMPRSA-N
InChI=1S/C27H31FN6O2.CH4O3S/c1-17-13-21(26(35)36)15-29-25(17)32-11-12-33(19(3)16-32)24-14-23(20-6-8-22(28)9-7-20)30-27(31-24)34-10-4-5-18(34)2;1-5(2,3)4/h6-9,13-15,18-19H,4-5,10-12,16H2,1-3H3,(H,35,36);1H3,(H,2,3,4)/t18-,19-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
MK-2295
Common Name English
6-((R)-4-(6-(4-FLUOROPHENYL)-2-((R)-2-METHYLPYRROLIDIN-1-YL)PYRIMIDIN-4-YL)-3-METHYLPIPERAZIN-1-YL)-5-METHYLNICOTINIC ACID METHANESULFONIC ACID SALT
Systematic Name English
Code System Code Type Description
CAS
1855897-95-8
Created by admin on Sat Dec 16 08:28:07 UTC 2023 , Edited by admin on Sat Dec 16 08:28:07 UTC 2023
PRIMARY
SMS_ID
300000042497
Created by admin on Sat Dec 16 08:28:07 UTC 2023 , Edited by admin on Sat Dec 16 08:28:07 UTC 2023
PRIMARY
PUBCHEM
126961388
Created by admin on Sat Dec 16 08:28:07 UTC 2023 , Edited by admin on Sat Dec 16 08:28:07 UTC 2023
PRIMARY
FDA UNII
X7ZL2B4O1U
Created by admin on Sat Dec 16 08:28:07 UTC 2023 , Edited by admin on Sat Dec 16 08:28:07 UTC 2023
PRIMARY