5,5'-(DODECANEDIOYLDIIMINO)-BIS(2,4,6-TRIIODO-N-METHYLISOPHTHALAMATE MEGLUMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H32I6N4O8.C7H17NO5
Molecular Weight	1533.2375
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5,5'-(DODECANEDIOYLDIIMINO)-BIS(2,4,6-TRIIODO-N-METHYLISOPHTHALAMATE MEGLUMINE

Structure Search

SMILES

CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(=O)CCCCCCCCCCC(=O)NC2=C(I)C(C(=O)NC)=C(I)C(C(O)=O)=C2I)=C1I

InChI

InChIKey=FGAHCGXERXZJOL-WZTVWXICSA-N

InChI=1S/C30H32I6N4O8.C7H17NO5/c1-37-27(43)15-19(31)17(29(45)46)23(35)25(21(15)33)39-13(41)11-9-7-5-3-4-6-8-10-12-14(42)40-26-22(34)16(28(44)38-2)20(32)18(24(26)36)30(47)48;1-8-2-4(10)6(12)7(13)5(11)3-9/h3-12H2,1-2H3,(H,37,43)(H,38,44)(H,39,41)(H,40,42)(H,45,46)(H,47,48);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

HIDE SMILES / InChI

Molecular Formula	C30H32I6N4O8
Molecular Weight	1338.0239
Charge	0
Count

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

Molecular Formula	C7H17NO5
Molecular Weight	195.2136
Charge	0
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 14:59:08 GMT 2023` Edited by `admin` on `Fri Dec 15 14:59:08 GMT 2023`
Record UNII	K8BE0ZC5XU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5,5'-(DODECANEDIOYLDIIMINO)-BIS(2,4,6-TRIIODO-N-METHYLISOPHTHALAMATE MEGLUMINE

Systematic Name

English

N-METHYLGLUCAMINE 5,5'-(DODECANEDIOYLDIIMINO)-BIS(2,4,6-TRIIODO-N-METHYLISOPHTHALAMATE)

Systematic Name

English

D-GLUCITOL, 1-DEOXY-1-(METHYLAMINO)-, 3,3'-((1,12-DIOXO-1,12-DODECANEDIYL)DIIMINO)BIS(2,4,6-TRIIODO-5-((METHYLAMINO)CARBONYL)BENZOATE) (1:1) (SALT)

Systematic Name

English

Code System Code Type Description

PUBCHEM

133082651

Created by admin on Fri Dec 15 14:59:08 GMT 2023 , Edited by admin on Fri Dec 15 14:59:08 GMT 2023

PRIMARY

CAS

23294-27-1

Created by admin on Fri Dec 15 14:59:08 GMT 2023 , Edited by admin on Fri Dec 15 14:59:08 GMT 2023

PRIMARY

FDA UNII

K8BE0ZC5XU

Created by admin on Fri Dec 15 14:59:08 GMT 2023 , Edited by admin on Fri Dec 15 14:59:08 GMT 2023

PRIMARY

EPA CompTox

DTXSID50274936

Created by admin on Fri Dec 15 14:59:08 GMT 2023 , Edited by admin on Fri Dec 15 14:59:08 GMT 2023

PRIMARY

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5,5'-(DODECANEDIOYLDIIMINO)-BIS(2,4,6-TRIIODO-N-METHYLISOPHTHALAMATE

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