Basic information
- CAS
63941-74-2- Standard SMILES
CNC(=O)c1c(I)c(NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c(I)c(NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1I- InChIKey
ASFIRRNYUOVVLY-JVOWFEOISA-N- Molecular formula
- C20H28I3N3O13
- Average molar mass
- 899.2 g/mol
- Monoisotopic mass
- 898.8756
Overview
Ioglucomide is a small molecule drug. Ioglucomide has a monoisotopic molecular weight of 898.88 Da.
Names & identifiers
- Preferred name
- Ioglucomide
- IUPAC
- 2,4,6-triiodo-N-methyl-3,5-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide
- English name
- Ioglucomide
- Molecular formula
- C20H28I3N3O13
- Molecular weight
- 899.16
Names & synonyms
Ioglucomide63941-74-2IoglucomidaIoglucomidumMP-8000771V8M13LTD-Gluconamide, N,N'-(2,4,6-triiodo-5-((methylamino)carbonyl)-1,3-phenylene)bis-3,5-bis(D-gluconamido)-2,4,6-triiodo-N-methylbenzamideRefChem:9235182,4,6-triiodo-N-methyl-3,5-bis[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamideN,N'-(2,4,6-Triiodo-5-(methylcarbamoyl)-m-phenylene)bis(D-gluconamide)N,N'-(2,4,6-Triiodo-5-((methylamino)carbonyl)-1,3-phenylene)bis-D-gluconamide
Show more names
N,N'-[2,4,6-Triiodo-5-[(methylamino)carbonyl]-1,3-phenylene]bis-D-gluconamideD-Gluconamide, N,N'-[2,4,6-triiodo-5-[(methylamino)carbonyl]-1,3-phenylene]bis-1,1'-[[2,4,6-Triiodo-5-[(methylamino)carbonyl]-1,3-phenylene]bis(imino)]bis-D-glucose
Ioglucomide [USAN:INN]Ioglucomidum [INN-Latin]Ioglucomida [INN-Spanish]MP 8000BRN 3026504UNII-771V8M13LT3,5-Bis-D-gluconamido-2,4,6-triiodo-N-methylbenzamideIOGLUCOMIDE [INN]
Database identifiers
- CAS
63941-74-2- PubChem CID
- 71964
- DTXSID
DTXSID101024309- ChEMBL
CHEMBL3989881- UNII
- 771V8M13LT
- Nikkaji
- J19.461A
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 290 Ų
- Hydrogen bond donors
- 13
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 777
Physicochemical properties
- Melting point
- 146 °C · 146°C
- Boiling point
- 1290.326 · 1290.326±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.9464 · 1.9464 (estimate)
- pka
- 9.803 · 9.803±0.70(predicted)
- FDA UNII
- 771 V8M13LT · 771V8M13LT
Chemistry & industry
Applications
UsesDiagnostic aid (radiopaque medium).
Suppliers4 total
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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