MK-499 DIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H29N3O4S.ClH.2H2O
Molecular Weight	540.072
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.Cl.CS(=O)(=O)NC1=CC=C2OC3(CCN(CC3)[C@@H]4CCC5=CC(=CC=C5C4)C#N)C[C@@H](O)C2=C1

InChI

InChIKey=XQQFDEAQPFJJLX-QMVBUSPDSA-N

InChI=1S/C25H29N3O4S.ClH.2H2O/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;1H;2*1H2/t21-,23-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

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 14:37:05 GMT 2023` Edited by `admin` on `Sat Dec 16 14:37:05 GMT 2023`
Record UNII	H7GNC16C1N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MK-499 DIHYDRATE

Code

English

N-(1'-(6-CYANO-1,2,3,4-TETRAHYDRO-2(R)-NAPHTHALENYL)-3,4-DIHYDRO-4(R)-HYDROXYSPIRO(2H-1-BENZOPYRAN-2,4'-PIPERIDIN)-6-YL)METHANE-SULFONAMIDE HYDROCHLORIDE DIHYDRATE

Systematic Name

English

L-706000 DIHYDRATE

Code

English

Code System Code Type Description

PUBCHEM

138454978

Created by admin on Sat Dec 16 14:37:06 GMT 2023 , Edited by admin on Sat Dec 16 14:37:06 GMT 2023

PRIMARY

FDA UNII

H7GNC16C1N

Created by admin on Sat Dec 16 14:37:06 GMT 2023 , Edited by admin on Sat Dec 16 14:37:06 GMT 2023

PRIMARY

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