AVA-4746 SODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H23ClN3O5.Na
Molecular Weight	491.899
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CC1=CC=C(C=C1)[C@H](CC([O-])=O)NC(=O)NC2=C(O)C(C)=CN(CC3=CC=CC=C3Cl)C2=O

InChI

InChIKey=QUXHOILDLMWREY-FYZYNONXSA-M

InChI=1S/C24H24ClN3O5.Na/c1-14-7-9-16(10-8-14)19(11-20(29)30)26-24(33)27-21-22(31)15(2)12-28(23(21)32)13-17-5-3-4-6-18(17)25;/h3-10,12,19,31H,11,13H2,1-2H3,(H,29,30)(H2,26,27,33);/q;+1/p-1/t19-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C24H23ClN3O5
Molecular Weight	468.91
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:34:42 UTC 2023` Edited by `admin` on `Sat Dec 16 12:34:42 UTC 2023`
Record UNII	TGC4U44G07
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AVA-4746 SODIUM

Common Name

English

BENZENEPROPANOIC ACID, .BETA.-((((1-((2-CHLOROPHENYL)METHYL)-1,2-DIHYDRO-4-HYDROXY-5-METHYL-2-OXO-3-PYRIDINYL)AMINO)CARBONYL)AMINO)-4-METHYL-, SODIUM SALT (1:1), (.BETA.S)-

Systematic Name

English

AVA4746 SODIUM SALT

Code

English

(3S)-3-(((1-(2-CHLOROBENZYL)-4-HYDROXY-5-METHYL-2-OXO-1,2-DIHYDROPYRIDIN-3YL)AMINO)CARBONYL)AMINO-3-(4-METHYLPHENYL)PROPANOIC ACID MONOSODIUM SALT

Systematic Name

English

AVA-4746 SODIUM SALT

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

515216

Created by admin on Sat Dec 16 12:34:42 UTC 2023 , Edited by admin on Sat Dec 16 12:34:42 UTC 2023

Code System Code Type Description

FDA UNII

TGC4U44G07

Created by admin on Sat Dec 16 12:34:42 UTC 2023 , Edited by admin on Sat Dec 16 12:34:42 UTC 2023

PRIMARY

PUBCHEM

54742239

Created by admin on Sat Dec 16 12:34:42 UTC 2023 , Edited by admin on Sat Dec 16 12:34:42 UTC 2023

PRIMARY

CAS

1206054-55-8

Created by admin on Sat Dec 16 12:34:42 UTC 2023 , Edited by admin on Sat Dec 16 12:34:42 UTC 2023

PRIMARY

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