Iohexol
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Product Description
Product
Iohexol
CAS
66108-95-0
Formula
C19H26I3N3O9
Synonym
Iohexol; Iohexolum; Iohexolum [INN-Latin]; N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide; N,N'-BIS(2,3-DIHYDROXYPROPYL)-5-[N-(2,3-DIHYDROXYPROPYL)ACETAMIDO]-2,4,6-TRIIODOISOPHTHALAMIDE; Nycodenz; Omnipaque; Omnipaque 140; Omnipaque 180; Omnipaque 210; Omnipaque 240; Omnipaque 300; Omnipaque 350; Omnipaque 70; UNII-4419T9MX03; WIN 39424; 1,3-Benzenedicarboxamide, 5-(acetyl(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-; 1,3-benzenedicarboxamide,5-(acetyl(2,3-dihydroxypropyl)amino)-n,n’-bis(2,3-dih; 5-(N-2,3-DIHYDROXYPROPYLACETAMIDO)-2,4,6-TRIIODO-N,N'-BIS(2,3-DIHYDROXYPROPYL)ISOPHTHALAMIDE; 5-(N-2-3-DIHYDROXYPROPYL-ACETMIDO)-2,4,6-TRIIODO-N,N'-BIS-(2,3-DIHYDROXYPROPYL)-ISOPHTHALAMIDE; 5-(n-dhp-acetamido)-2,4,6-triiodo-n,n’-bis-dhp-isophthalami; 6-triiodo-ydroxypropyl)-4; BRN 2406632; EC 266-164-2; EINECS 266-164-2; Exypaque
Typical Product Specifications
Molecular weight
821.14
EINECS
266-164-2
SMILES
CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
InChI
NTHXOOBQLCIOLC-UHFFFAOYSA-N
InChIKey
1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)
Melting Point
174-180 ° C
log P (octanol-water)
-3.05E+00
Vapor Pressure
2.77E-31 mm Hg
Atmospheric OH Rate Constant
6.92E-11 cm3/molecule-sec
Henry's Law Constant
2.66E-29 atm-m3/mole
Water solubility
107 mg/L
Density
1.078 g/mL±0.002 g/mL at 25 °C
Storage Temperature
-20°C
Melting Point
254-2560C
Class
Iohexol
Product Description
Product
Iohexol
CAS
66108-95-0
Formula
C19H26I3N3O9
Synonym
Iohexol; Iohexolum; Iohexolum [INN-Latin]; N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide; N,N'-BIS(2,3-DIHYDROXYPROPYL)-5-[N-(2,3-DIHYDROXYPROPYL)ACETAMIDO]-2,4,6-TRIIODOISOPHTHALAMIDE; Nycodenz; Omnipaque; Omnipaque 140; Omnipaque 180; Omnipaque 210; Omnipaque 240; Omnipaque 300; Omnipaque 350; Omnipaque 70; UNII-4419T9MX03; WIN 39424; 1,3-Benzenedicarboxamide, 5-(acetyl(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-; 1,3-benzenedicarboxamide,5-(acetyl(2,3-dihydroxypropyl)amino)-n,n’-bis(2,3-dih; 5-(N-2,3-DIHYDROXYPROPYLACETAMIDO)-2,4,6-TRIIODO-N,N'-BIS(2,3-DIHYDROXYPROPYL)ISOPHTHALAMIDE; 5-(N-2-3-DIHYDROXYPROPYL-ACETMIDO)-2,4,6-TRIIODO-N,N'-BIS-(2,3-DIHYDROXYPROPYL)-ISOPHTHALAMIDE; 5-(n-dhp-acetamido)-2,4,6-triiodo-n,n’-bis-dhp-isophthalami; 6-triiodo-ydroxypropyl)-4; BRN 2406632; EC 266-164-2; EINECS 266-164-2; Exypaque
Typical Product Specifications
Molecular weight
821.14
EINECS
266-164-2
SMILES
CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
InChI
NTHXOOBQLCIOLC-UHFFFAOYSA-N
InChIKey
1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)
Melting Point
174-180 ° C
log P (octanol-water)
-3.05E+00
Vapor Pressure
2.77E-31 mm Hg
Atmospheric OH Rate Constant
6.92E-11 cm3/molecule-sec
Henry's Law Constant
2.66E-29 atm-m3/mole
Water solubility
107 mg/L
Density
1.078 g/mL±0.002 g/mL at 25 °C
Storage Temperature
-20°C
Melting Point
254-2560C
Class
