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N-DesMethylIoMeprol

N-DesMethylIoMeprol structure

CAS No:
77868-40-7
Formula:
C16H20I3N3O8
Chemical Name:
N-DesMethylIoMeprol
Synonyms:
N-DesMethyl IoMeprol;N,N'-Bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)amino]-2,4,6-triiodo-1,3-benzenedicarboxamide;N,N'-bis-(2,3-dihydroxypropyl)-5-(2-hydroxyacetylamino)-2,4,6-triiodoisophthalamide;Ioversol hydrolysate;1,3-Benzenedicarboxamide,N,N'-bis(2,3-dihydroxypropyl)-5-[(hydroxyacetyl)amino]-2,4,6-triiodo-;N1,N3-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-1,3-benzenedicarboxamide;1,3-Benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-;N1,N3-bis(2,3-dihydroxypropyl)-5-(2-hydroxyacetamido)-2,4,6-triiodoisophthalamide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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N-DesMethylIoMeprol Basic Attributes

Molecular Weight：

763.06

Exact Mass：

762.8385

DSSTox ID：

DTXSID30447909

Characteristics

PSA：

198.92000

XLogP3：

0.39630

Density：

2.3670

Boiling Point：

784.1±60.0 °C(Predicted)

Refractive Index：

1.7550 (estimate)

Water Solubility：

17.68g/L(25 ºC)

PKA：

10.57±0.70

N-DesMethylIoMeprol Use and Manufacturing

N-Desmethyl Iomeprol is an intermediate used in the preparation of Iomeprol (I730500), and x-ray contrast agent.

Computed Properties

Molecular Weight:763.06
XLogP3:-2.9
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:762.8385
Monoisotopic Mass:762.8385
Topological Polar Surface Area:188
Heavy Atom Count:30
Complexity:562
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Ioversol hydrolysate (Ioversol N-1) CAS No.77868-40-7

CAS No.: 77868-40-7

Grade: Pharmaceutical grade

Content: 99%

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