Basic information
- CAS
60166-98-5- Standard SMILES
Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I- InChIKey
FVLWRKHQMFPOQE-UHFFFAOYSA-N- Molecular formula
- C14H18I3N3O6
- Average molar mass
- 705.02 g/mol
Names & identifiers
- Preferred name
- N,N'-Bis-(1,3-dihydroxy-2-propyl)-5-amino-2,4,6-triiodoisophthalamide
- IUPAC
- 5-amino-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide
- English name
- 5-Amino-N,N'-bis[2-hydroxy-1-(hydroxymethyl) ethyl]-2,4,6-triiodobenzene-1,3-dicarboxamide
- Molecular formula
- C14H18I3N3O6
- Molecular weight
- 705.02
Names & synonyms
60166-98-5N,N'-Bis-(1,3-dihydroxy-2-propyl)-5-amino-2,4,6-triiodoisophthalamideJK9TZ8JY3WUNII-JK9TZ8JY3W(N,N'-Bis-(1,3-dihydroxy-2-propyl)-5-amino-2,4,6-triiodoiso-phthalamide1,3-Benzenedicarboxamide, 5-amino-N1,N3-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-2,4,6-triiodo-6-Hydroxy-3,4-dihydro-1H-quinolin-2-one N,N'-bis-(1,3-dihydroxy-2-propyl)-5-amino-2,4,6-triiodoisophthalamide)RefChem:201888Iopamidol EP Impurity A5-Amino-N1,N3-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodoisophthalamide5-amino-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-2,4,6-triiodobenzene-1,3-dicarboxamide5-amino-n,n'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-1,3-benzenedicarboxamide
Show more names
Iodipamide iodideIopamidol USP Related Compound AIopamidol Impurity 1(Iopamidol EP Impurity A)Iopamidol Related Compound A Analyze the standard sampleN,N′-Bis(1,3-dihydroxy-2-propyl)-5-amino-2,4,6-triiodoisophthalamide
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Melting point
- 260 °C · >260°C (dec.)
- Boiling point
- 688.7 · 688.7±55.0 °C(Predicted)
- Density
- 2.386 · 2.386±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Sparingly)
- pka
- 10.98 · 10.98±0.46(Predicted)
- color
- White to Off-White
- Major Application
- pharmaceutical (small molecule)
- InChI
- InChI=1S/C14H18I3N3O6/c15-9-7(13(25)19-5(1-21)2-22)10(16)12(18)11(17)8(9)14(26)20-6(3-23)4-24/h5-6,21-24H,1-4,18H2,(H,19,25)(H,20,26)
- InChIKey
- FVLWRKHQMFPOQE-UHFFFAOYSA-N
- SMILES
- C1(C(NC(CO)CO)=O)=C(I)C(N)=C(I)C(C(NC(CO)CO)=O)=C1I
- FDA UNII
- 9 TZ8JY3W · JK9TZ8JY3W
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
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
- wgk
- WGK 3
- hs_code
- 2924296000
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses5-Amino-N,N''-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-1,3-benzenedicarboxamide (Iopamidol EP Impurity A) is an impurity in the synthesis of Iopamidol (I735600), a nonionic radiocontrast medium. Diagnostic aid (radiopaque medium).
Upstream & downstream products
Downstream products
Suppliers43 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
兄弟科技股份有限公司0573-87006360
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Related reactions
1 records
Compound notes
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