MK-825 HYDROCHLORIDE HEMI-ETHYLACETATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C20H19ClN2O3.C4H8O2.2ClH
Molecular Weight	902.686
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MK-825 HYDROCHLORIDE HEMI-ETHYLACETATE

Structure Search

SMILES

Cl.Cl.CCOC(C)=O.CN(C)C1=CC2=C(C=C1)N(C(=O)C3=CC=C(Cl)C=C3)C(C)=C2CC(O)=O.CN(C)C4=CC5=C(C=C4)N(C(=O)C6=CC=C(Cl)C=C6)C(C)=C5CC(O)=O

InChI

InChIKey=VLWVGOJFEHGENZ-UHFFFAOYSA-N

InChI=1S/2C20H19ClN2O3.C4H8O2.2ClH/c2*1-12-16(11-19(24)25)17-10-15(22(2)3)8-9-18(17)23(12)20(26)13-4-6-14(21)7-5-13;1-3-6-4(2)5;;/h2*4-10H,11H2,1-3H3,(H,24,25);3H2,1-2H3;2*1H

HIDE SMILES / InChI

Molecular Formula	C20H19ClN2O3
Molecular Weight	370.829
Charge	0
Count

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

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	C4H8O2
Molecular Weight	88.1051
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 `Fri Dec 15 15:05:18 UTC 2023` Edited by `admin` on `Fri Dec 15 15:05:18 UTC 2023`
Record UNII	A5K7LN7CPM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MK-825 HYDROCHLORIDE HEMI-ETHYLACETATE

Code

English

1-(P-CHLOROBENZOYL)-2-METHYL-5-DIMETHYLAMINO-INDOLE-3-ACETIC ACID HYDROCHLORIDE HEMI-ETHYL ACETATE

Systematic Name

English

1H-INDOLE-3-ACETIC ACID, 1-(4-CHLOROBENZOYL)-5-(DIMETHYLAMINO)-2-METHYL-, MONOHYDROCHLORIDE, COMPD. WITH ETHYL ACETATE (2:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

133082151

Created by admin on Fri Dec 15 15:05:18 UTC 2023 , Edited by admin on Fri Dec 15 15:05:18 UTC 2023

PRIMARY

CAS

23298-10-4

Created by admin on Fri Dec 15 15:05:18 UTC 2023 , Edited by admin on Fri Dec 15 15:05:18 UTC 2023

PRIMARY

FDA UNII

A5K7LN7CPM

Created by admin on Fri Dec 15 15:05:18 UTC 2023 , Edited by admin on Fri Dec 15 15:05:18 UTC 2023

PRIMARY

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ANHYDROUS->SOLVATE

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ACTIVE MOIETY