MK-2295

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 Search

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

Molecular Formula	C27H31FN6O2
Molecular Weight	490.5724
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:28:07 UTC 2023` Edited by `admin` on `Sat Dec 16 08:28:07 UTC 2023`
Record UNII	X7ZL2B4O1U
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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