L-375378 MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H26N6O2.2ClH.H2O
Molecular Weight	497.418
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.Cl.Cl.CC1=CN=C(NCCC2=CC=CC=C2)C(=O)N1CC(=O)NCC3=CC=C(N)N=C3C

InChI

InChIKey=QXCLBBJLWXAPCM-UHFFFAOYSA-N

InChI=1S/C22H26N6O2.2ClH.H2O/c1-15-12-26-21(24-11-10-17-6-4-3-5-7-17)22(30)28(15)14-20(29)25-13-18-8-9-19(23)27-16(18)2;;;/h3-9,12H,10-11,13-14H2,1-2H3,(H2,23,27)(H,24,26)(H,25,29);2*1H;1H2

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	C22H26N6O2
Molecular Weight	406.4808
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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:51:46 GMT 2023` Edited by `admin` on `Fri Dec 15 15:51:46 GMT 2023`
Record UNII	D64L2RK4VK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-375378 MONOHYDRATE

Code

English

1(2H)-PYRAZINEACETAMIDE, N-((6-AMINO-2-METHYL-3-PYRIDINYL)METHYL)-6-METHYL-2-OXO-3-((2-PHENYLETHYL)AMINO)-, DIHYDROCHLORIDE, MONOHYDRATE

Common Name

English

N-((6-AMINO-2-METHYL-3-PYRIDINYL)METHYL)-6-METHYL-2-OXO-3-((2-PHENYLETHYL)AMINO)-1(2H)-PYRAZINEACETAMIDE DIHYDROCHLORIDE HYDRATE

Systematic Name

English

1(2H)-PYRAZINEACETAMIDE, N-((6-AMINO-2-METHYL-3-PYRIDINYL)METHYL)-6-METHYL-2-OXO-3-((2-PHENYLETHYL)AMINO)-, HYDROCHLORIDE, HYDRATE (1:2:1)

Systematic Name

English

Code System Code Type Description

FDA UNII

D64L2RK4VK

Created by admin on Fri Dec 15 15:51:46 GMT 2023 , Edited by admin on Fri Dec 15 15:51:46 GMT 2023

PRIMARY

CAS

220361-16-0

Created by admin on Fri Dec 15 15:51:46 GMT 2023 , Edited by admin on Fri Dec 15 15:51:46 GMT 2023

PRIMARY

PUBCHEM

70697250

Created by admin on Fri Dec 15 15:51:46 GMT 2023 , Edited by admin on Fri Dec 15 15:51:46 GMT 2023

PRIMARY

Related Record Type Details


					R83EK9ELX5

N-((6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL)-2-(6-METHYL-2-OXO-3-((2-PHENYLETHYL)AMINO)-1,2-DIHYDROPYRAZIN-1-YL)ACETAMIDE

PARENT -> SALT/SOLVATE


					QFA6NL479D

N-((6-AMINO-2-METHYLPYRIDIN-3-YL)METHYL)-2-(6-METHYL-2-OXO-3-((2-PHENYLETHYL)AMINO)-1,2-DIHYDROPYRAZIN-1-YL)ACETAMIDE DIHYDROCHLORIDE

ANHYDROUS->SOLVATE