Basic information
- CAS
440-58-4- Standard SMILES
CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I- InChIKey
VVDGWALACJEJKG-UHFFFAOYSA-N- Molecular formula
- C12H11I3N2O4
- Average molar mass
- 627.94 g/mol
- Monoisotopic mass
- 627.7853
Overview
Iodamide is a benzoic acid compound having iodo substituents at the 2-, 4- and 6-positions, an acetamido substituent at the 3-position and an acetamidomethyl substituent at the 5-position. It has a role as a radioopaque medium. It is a member of benzoic acids and an organoiodine compound.
Names & identifiers
- Preferred name
- Iodamide
- IUPAC
- 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acid
- English name
- iodamide
- Molecular formula
- C12H11I3N2O4
- Molecular weight
- 627.94
Names & synonyms
iodamideUromiro440-58-4UrombrineAmetriiodic acidAmetriiodinic acidUromironIodamidaIodamidumJodomiron3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoic acidSH 926
Show more names
BRN 2175358Iodamide【radiopaque substance】Benzoic acid, 3-(acetylamino)-5-[(acetylamino)methyl]-2,4,6-triiodo-3 -Acetamido - 5 [(acetamido)- methyl ]- 2, 4, 6 - triiodobenzoic acid
DTXSID1023150alpha,5-Diacetamido-2,4,6-triiodo-m-toluic acidSH-926B-41304RII332O0RBenzoic acid, 3-(acetylamino)-5-((acetylamino)methyl)-2,4,6-triiodo-DTXCID003150CHEBI:31703
Database identifiers
- CAS
440-58-4、606-17-7- PubChem CID
- 3723
- DTXSID
DTXSID1023150- ChEMBL
CHEMBL1201239- ChEBI
CHEBI:31703- UNII
- 4RII332O0R
- EC Number
- 207-125-1
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 435
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 255 · 255-257°
- Boiling point
- 683.4 · 683.4±55.0 °C(Predicted)
- Density
- 2.314 · 2.3140 (estimate)
- pka
- 1.08 · 1.08±0.10(Predicted)
- Water Solubility
- 3 g/L · 3g/L(20 ºC)
- FDA UNII
- 4 RII332O0R · 4RII332O0R
- Toxicity
- 50 ipr-rat: · LD50 ipr-rat: 17,900 mg/kg ARZNAD 15,222,65
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 ipr-rat: 17,900 mg/kg ARZNAD 15,222,65
Chemistry & industry
Pharmacology
ATC Code
V - Various
QV - Various
MeSH Pharmacological ClassificationSubstances used to allow enhanced visualization of tissues.
Applications
UsesDiagnostic aid (radiopaque medium).
Upstream & downstream products
Upstream raw materials
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: A benzoic acid compound having iodo substituents at the 2-, 4- and 6-positions, an acetamido substituent at the 3-position and an acetamidomethyl substituent at the 5-position.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…