SODIUM PICOSULFATE, 2,4'-ISOMER

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H13NO8S2.2Na
Molecular Weight	481.407
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM PICOSULFATE, 2,4'-ISOMER

Structure Search

SMILES

[Na+].[Na+].[O-]S(=O)(=O)OC1=CC=C(C=C1)C(C2=NC=CC=C2)C3=CC=CC=C3OS([O-])(=O)=O

InChI

InChIKey=BCLUBMNWNDZSHE-UHFFFAOYSA-L

InChI=1S/C18H15NO8S2.2Na/c20-28(21,22)26-14-10-8-13(9-11-14)18(16-6-3-4-12-19-16)15-5-1-2-7-17(15)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula	C18H13NO8S2
Molecular Weight	435.428
Charge	-2
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:48:17 GMT 2025` Edited by `admin` on `Mon Mar 31 21:48:17 GMT 2025`
Record UNII	B01P98VJ95
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM PICOSULFATE, 2,4'-ISOMER

Common Name

English

SODIUM PICOSULFATE IMPURITY C [EP IMPURITY]

Preferred Name

English

2-((RS)-(PYRIDIN-2-YL)(4-(SULFONATOOXY)PHENYL)METHYL)PHENYL DISODIUM SULFATE

Systematic Name

English

Code System Code Type Description

FDA UNII

B01P98VJ95

Created by admin on Mon Mar 31 21:48:17 GMT 2025 , Edited by admin on Mon Mar 31 21:48:17 GMT 2025

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PUBCHEM

129318353

Created by admin on Mon Mar 31 21:48:17 GMT 2025 , Edited by admin on Mon Mar 31 21:48:17 GMT 2025

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