Basic information
- CAS
181872-90-2- Standard SMILES
NC(=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CC(O)CO)C(=O)CC(=O)N(CC(O)CO)c2c(I)c(C(N)=O)c(I)c(C(=O)NCC(O)CO)c2I)c1I- InChIKey
DLPPIGPJCKKVBA-UHFFFAOYSA-N- Molecular formula
- C31H36I6N6O14
- Average molar mass
- 1,478.1 g/mol
- Monoisotopic mass
- 1,477.6558
Overview
Iosimenol is an amidobenzoic acid.
Names & identifiers
- Preferred name
- Iosimenol
- IUPAC
- 5-[[3-[3-carbamoyl-N-(2,3-dihydroxypropyl)-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
- English name
- iosimenol
- Molecular formula
- C31H36I6N6O14
- Molecular weight
- 1478.08
Names & synonyms
Iosimenol181872-90-2IosminICJ-3393ICJ3393BP-13QPG0485VLSBP13 cpdMP-3047-04BP-13 cpd5,5'-((1,3-dioxo-1,3-propanediyl)bis((2,3-dihydroxypropyl)imino))bis(N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide)5,5'-(Propanedioylbis((2,3-dihydroxypropyl)imino)bis(N-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide)
Show more names
1,3-Benzenedicarboxamide, 5,5'-[(1,3-dioxo-1,3-propanediyl)bis[(2,3-dihydroxypropyl)imino]]bis[N1-(2,3-dihydroxypropyl)-2,4,6-triiodo-
N,N'-bis(3-carbamoyl-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodophenyl)-N,N'-bis(2,3-dihydroxypropyl)malonamideiosimenolumRefChem:9235245-[[3-[3-carbamoyl-N-(2,3-dihydroxypropyl)-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamideICJ 3393UNII-QPG0485VLSIosimenol [INN]Iosimenol [USAN:INN]
Database identifiers
- CAS
181872-90-2
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 347 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 20
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,320
Physicochemical properties
- FDA UNII
- 485 VLS · QPG0485VLS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesIodinated x-ray contrast agent.
Suppliers4 total
苏州美石生物科技有限公司1173954148q · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [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: Iosimenol is an amidobenzoic acid.
Related reactions
2 records
Compound notes
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