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31127-80-7

31127-80-7 Structure

31127-80-7 Structure
IdentificationMore
[Name]

5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
[CAS]

31127-80-7
[Synonyms]

5-(acetamido)-n,n'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
5-(ACETYLAMINO)-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-1,3-BENZENEDICARBOXAMIDE
HYDROLYSATE
IOHEXOL INTERMEDIATE
5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiono-1,3-benzenedicarboxamide
5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiono-1,3-benzenedicarboxami
5-Acetylamido-N,N’-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
5-Acetylamino-N,N'-Bis(2,3-Dihydroxypropyl)-2,4,6-Triiodoisophthalamide
5-Acetamido-2,4,6-Triiodo-N,N-(Dihydroxy Propyl) Isophthalamide
5-Acetylamido-N,N’
-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
5-(Acetylamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamine
5-Acetamido-N,N-bis-(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
[EINECS(EC#)]

445-830-8
[Molecular Formula]

C16H20I3N3O7
[MDL Number]

MFCD08063354
[Molecular Weight]

747.06
[MOL File]

31127-80-7.mol
Chemical PropertiesBack Directory
[Appearance]

Whitye To Off-White Solid
[Melting point ]

274-276°C
[Boiling point ]

746.1±60.0 °C(Predicted)
[density ]

2.289±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO (Sparingly, Heated), Methanol (Slightly, Heated)
[form ]

neat
[pka]

11.45±0.46(Predicted)
[color ]

White to Off-White
[Usage]

Imaging agent
[Stability:]

Hygroscopic
[Major Application]

pharmaceutical (small molecule)
[InChI]

InChI=1S/C16H20I3N3O7/c1-6(25)22-14-12(18)9(15(28)20-2-7(26)4-23)11(17)10(13(14)19)16(29)21-3-8(27)5-24/h7-8,23-24,26-27H,2-5H2,1H3,(H,20,28)(H,21,29)(H,22,25)
[InChIKey]

BHCBLTRDEYPMFZ-UHFFFAOYSA-N
[SMILES]

C1(C(NCC(O)CO)=O)=C(I)C(NC(C)=O)=C(I)C(C(NCC(O)CO)=O)=C1I
[CAS DataBase Reference]

31127-80-7(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
[WGK Germany ]

WGK 3
[REACH Registrations]

Active
[HS Code ]

29242990
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Acetic acid-->N,N-Dimethylacetamide-->Pazufloxacin-->Malotilate-->Ti(Co)Ziegler catalyst-->Cefpirome-->9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione21-phosphate piperazine salt-->Latanoprost
Hazard InformationBack Directory
[Chemical Properties]

Whitye To Off-White Solid
[Uses]

5-(Acetamido)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide can be used as an intermediate used in the synthesis of imaging agents such as Iohexol (I729500).
Well-known Reagent Company Product InformationBack Directory
[TCI AMERICA]

5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide,>97.0%(N)(31127-80-7)
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