ETALOCIB SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C33H32FO6.Na
Molecular Weight	566.5918
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCCC1=C(OC2=C(C=CC=C2)C([O-])=O)C=CC=C1OCCCOC3=C(CC)C=C(C(O)=C3)C4=CC=C(F)C=C4

InChI

InChIKey=GKDIMGQSBSDJNC-UHFFFAOYSA-M

InChI=1S/C33H33FO6.Na/c1-3-9-25-29(12-7-13-30(25)40-31-11-6-5-10-26(31)33(36)37)38-18-8-19-39-32-21-28(35)27(20-22(32)4-2)23-14-16-24(34)17-15-23;/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C33H32FO6
Molecular Weight	543.602
Charge	-1
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:34:37 UTC 2023` Edited by `admin` on `Fri Dec 15 15:34:37 UTC 2023`
Record UNII	993NUX18GO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETALOCIB SODIUM

Common Name

English

BENZOIC ACID, 2-(3-(3-((5-ETHYL-4'-FLUORO-2-HYDROXY(1,1'-BIPHENYL)-4-YL)OXY)PROPOXY)-2-PROPYLPHENOXY)-, MONOSODIUM SALT

Common Name

English

LY-293111 SODIUM

Code

English

VML-295

Code

English

Code System Code Type Description

FDA UNII

993NUX18GO

Created by admin on Fri Dec 15 15:34:38 UTC 2023 , Edited by admin on Fri Dec 15 15:34:38 UTC 2023

PRIMARY

CAS

152608-41-8

Created by admin on Fri Dec 15 15:34:38 UTC 2023 , Edited by admin on Fri Dec 15 15:34:38 UTC 2023

PRIMARY

PUBCHEM

23663993

Created by admin on Fri Dec 15 15:34:38 UTC 2023 , Edited by admin on Fri Dec 15 15:34:38 UTC 2023

PRIMARY

EPA CompTox

DTXSID40934557

Created by admin on Fri Dec 15 15:34:38 UTC 2023 , Edited by admin on Fri Dec 15 15:34:38 UTC 2023

PRIMARY

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