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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

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

Approval Year

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