IOXAGLATE SODIUM MEGLUMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H20I6N5O8.C7H17NO5.Na
Molecular Weight	1486.0745
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC(=O)C1=C(I)C(C(=O)NCC(=O)NC2=C(I)C(C(=O)NCCO)=C(I)C(C([O-])=O)=C2I)=C(I)C(N(C)C(C)=O)=C1I

InChI

InChIKey=QOMXDFCLFKTZQB-BMWGJIJESA-M

InChI=1S/C24H21I6N5O8.C7H17NO5.Na/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;1-8-2-4(10)6(12)7(13)5(11)3-9;/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);4-13H,2-3H2,1H3;/q;;+1/p-1/t;4-,5+,6+,7+;/m.0./s1

HIDE SMILES / InChI

Molecular Formula	C24H21I6N5O8
Molecular Weight	1268.8791
Charge	0
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

Molecular Formula	C7H16NO5
Molecular Weight	194.2056
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:00:38 UTC 2023` Edited by `admin` on `Fri Dec 15 15:00:38 UTC 2023`
Record UNII	5MCJ61S08T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

IOXAGLATE SODIUM MEGLUMINE

Common Name

English

Code System Code Type Description

CAS

118673-76-0

Created by admin on Fri Dec 15 15:00:38 UTC 2023 , Edited by admin on Fri Dec 15 15:00:38 UTC 2023

PRIMARY

EPA CompTox

DTXSID40152198

Created by admin on Fri Dec 15 15:00:38 UTC 2023 , Edited by admin on Fri Dec 15 15:00:38 UTC 2023

PRIMARY

FDA UNII

5MCJ61S08T

Created by admin on Fri Dec 15 15:00:38 UTC 2023 , Edited by admin on Fri Dec 15 15:00:38 UTC 2023

PRIMARY

PUBCHEM

71587441

Created by admin on Fri Dec 15 15:00:38 UTC 2023 , Edited by admin on Fri Dec 15 15:00:38 UTC 2023

PRIMARY

Related Record Type Details


					6HG8UB2MUY

MEGLUMINE

PARENT -> SALT/SOLVATE


					Z40X7EI2AF

IOXAGLIC ACID

PARENT -> SALT/SOLVATE