FR-181157

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H26NO4.Na
Molecular Weight	487.5215
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[O-]C(=O)COC1=CC=CC(C[C@@H]2CCCC=C2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)=C1

InChI

InChIKey=DPECFBBZFTXROT-JIDHJSLPSA-M

InChI=1S/C30H27NO4.Na/c32-27(33)20-34-25-16-9-10-21(19-25)18-24-15-7-8-17-26(24)30-31-28(22-11-3-1-4-12-22)29(35-30)23-13-5-2-6-14-23;/h1-6,9-14,16-17,19,24H,7-8,15,18,20H2,(H,32,33);/q;+1/p-1/t24-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
Count

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

Molecular Formula	C30H26NO4
Molecular Weight	464.5317
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 `Mon Mar 31 22:36:18 GMT 2025` Edited by `admin` on `Mon Mar 31 22:36:18 GMT 2025`
Record UNII	25633Y557Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-FR-181157

Preferred Name

English

FR-181157

Common Name

English

ACETIC ACID, (3-((2-(4,5-DIPHENYL-2-OXAZOLYL)-2-CYCLOHEXEN-1-YL)METHYL)PHENOXY)-, SODIUM SALT, (S)-

Systematic Name

English

ACETIC ACID, 2-(3-(((1S)-2-(4,5-DIPHENYL-2-OXAZOLYL)-2-CYCLOHEXEN-1-YL)METHYL)PHENOXY)-, SODIUM SALT (1:1)

Systematic Name

English

ACETIC ACID, (3-(((1S)-2-(4,5-DIPHENYL-2-OXAZOLYL)-2-CYCLOHEXEN-1-YL)METHYL)PHENOXY)-, SODIUM SALT

Systematic Name

English

Code System Code Type Description

CAS

171046-15-4

Created by admin on Mon Mar 31 22:36:18 GMT 2025 , Edited by admin on Mon Mar 31 22:36:18 GMT 2025

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FDA UNII

25633Y557Y

Created by admin on Mon Mar 31 22:36:18 GMT 2025 , Edited by admin on Mon Mar 31 22:36:18 GMT 2025

PRIMARY

PUBCHEM

23685469

Created by admin on Mon Mar 31 22:36:18 GMT 2025 , Edited by admin on Mon Mar 31 22:36:18 GMT 2025

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