SODIUM 3-((3-(DIMETHYLAMINO)PROPYL)((TRIDECAFLUOROHEXYL)SULFONYL)AMINO)-2-HYDROXY-1-PROPANESULFONATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H18F13N2O6S2.Na
Molecular Weight	644.402
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 3-((3-(DIMETHYLAMINO)PROPYL)((TRIDECAFLUOROHEXYL)SULFONYL)AMINO)-2-HYDROXY-1-PROPANESULFONATE

Structure Search

SMILES

[Na+].CN(C)CCCN(CC(O)CS([O-])(=O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

InChI

InChIKey=NPPLFZIZNHHMEY-UHFFFAOYSA-M

InChI=1S/C14H19F13N2O6S2.Na/c1-28(2)4-3-5-29(6-8(30)7-36(31,32)33)37(34,35)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25;/h8,30H,3-7H2,1-2H3,(H,31,32,33);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C14H18F13N2O6S2
Molecular Weight	621.412
Charge	-1
Count

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

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 `Sat Dec 16 08:26:11 GMT 2023` Edited by `admin` on `Sat Dec 16 08:26:11 GMT 2023`
Record UNII	4728AT5H4E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 3-((3-(DIMETHYLAMINO)PROPYL)((TRIDECAFLUOROHEXYL)SULFONYL)AMINO)-2-HYDROXY-1-PROPANESULFONATE

Systematic Name

English

SODIUM 3-((3-(DIMETHYLAMINO)PROPYL)((TRIDECAFLUOROHEXYL)SULPHONYL)AMINO)-2-HYDROXYPROPANESULPHONATE

Systematic Name

English

J295.262I

Code

English

1-PROPANESULFONIC ACID, 3-((3-(DIMETHYLAMINO)PROPYL)((TRIDECAFLUOROHEXYL)SULFONYL)AMINO)-2-HYDROXY-, MONOSODIUM SALT

Common Name

English

1-PROPANESULFONIC ACID, 3-((3-(DIMETHYLAMINO)PROPYL)((1,1,2,2,3,3,4,4,5,5,6,6,6-TRIDECAFLUOROHEXYL)SULFONYL)AMINO)-2-HYDROXY-, SODIUM SALT (1:1)

Systematic Name

English

3-((3-(DIMETHYLAMINO)PROPYL)((TRIDECAFLUOROHEXYL)SULFONYL)AMINO)-2-HYDROXY-1-PROPANESULFONIC ACID SODIUM SALT

Systematic Name

English

Code System Code Type Description

CAS

73772-32-4