Y-20811, (S)-

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H19N2O3.Na
Molecular Weight	358.3662
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](O)C2=C(C)C=C(C=C2C)C([O-])=O)N3C=CN=C3

InChI

InChIKey=HRUWEADDSLYBSH-FYZYNONXSA-M

InChI=1S/C20H20N2O3.Na/c1-12-4-5-16(22-7-6-21-11-22)10-17(12)19(23)18-13(2)8-15(20(24)25)9-14(18)3;/h4-11,19,23H,1-3H3,(H,24,25);/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	C20H19N2O3
Molecular Weight	335.3765
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 15:42:48 GMT 2023` Edited by `admin` on `Sat Dec 16 15:42:48 GMT 2023`
Record UNII	PG46340TR6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Y-20811, (S)-

Common Name

English

BENZOIC ACID, 4-(HYDROXY(5-(1H-IMIDAZOL-1-YL)-2-METHYLPHENYL)METHYL)-3,5-DIMETHYL-, MONOSODIUM SALT, (S)-

Systematic Name

English

BENZOIC ACID, 4-(HYDROXY(5-(1H-IMIDAZOL-1-YL)-2-METHYLPHENYL)METHYL)-3,5-DIMETHYL-, MONOSODIUM SALT, (-)-

Common Name

English

BENZOIC ACID, 4-((S)-HYDROXY(5-(1H-IMIDAZOL-1-YL)-2-METHYLPHENYL)METHYL)-3,5-DIMETHYL-, SODIUM SALT (1:1)

Common Name

English

Code System Code Type Description

CAS

122331-75-3

Created by admin on Sat Dec 16 15:42:48 GMT 2023 , Edited by admin on Sat Dec 16 15:42:48 GMT 2023

PRIMARY

PUBCHEM

121492596

Created by admin on Sat Dec 16 15:42:48 GMT 2023 , Edited by admin on Sat Dec 16 15:42:48 GMT 2023

PRIMARY

FDA UNII

PG46340TR6

Created by admin on Sat Dec 16 15:42:48 GMT 2023 , Edited by admin on Sat Dec 16 15:42:48 GMT 2023

PRIMARY

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