Related Searches: Iohexol

Iohexol(CAS No. 66108-95-0)

Iohexol C19H26I3N3O9 (cas 66108-95-0) Molecular Structure

66108-95-0 Structure

Identification and Related Records

【Name】
Iohexol
【Iupac name】
5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,
4,6-triiodobenzene-1,3-dicarboxamide
【CAS Registry number】
66108-95-0
【Synonyms】
5-(n-2-3-dihydroxypropyl-acetmido)-2,4,6-triiodo-n,n'-bis-(2,3-dihydroxypropyl)-isophthalamide
【EINECS(EC#)】
266-164-2
【Molecular Formula】
C19H26I3N3O9 (Products with the same molecular formula)
【Molecular Weight】
821.14
【Inchi】
InChI=1/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)
【Canonical SMILES】
CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
【MOL File】
66108-95-0.mol

Chemical and Physical Properties

【Appearance】
white powder
【Density】
2.2 g/cm3
【Melting Point】
254-2560C
【Boiling Point】
891.5 °C at 760 mmHg
【Refractive Index】
1.724 
【Flash Point】
493 °C
【Solubilities】
Freely soluble
【Stability】
Stable at normal temperatures and pressures.
【Storage temp】
?20°C
【Computed Properties】
Molecular Weight:821.13785 [g/mol]
Molecular Formula:C19H26I3N3O9
XLogP3:-3
H-Bond Donor:8
H-Bond Acceptor:9
Rotatable Bond Count:12
Tautomer Count:3
Exact Mass:820.880308
MonoIsotopic Mass:820.880308
Topological Polar Surface Area:200
Heavy Atom Count:34
Formal Charge:0
Complexity:653
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:3
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:9
Feature 3D Donor Count:8
Feature 3D Hydrophobe Count:3
Feature 3D Ring Count:1
Effective Rotor Count:15
Conformer Sampling RMSD:1.2
CID Conformer Count:39

Safety and Handling

【Safety Statements 】
S22;S24/25
【Safety】

Safety Statements 22-24/25
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.
WGK Germany 1
RTECS CZ2205000

【Transport】
DS
【Specification】

?Iohexol , with CAS number of 66108-95-0, can be called 1,3-Benzenedicarboxamide,5-[acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-(9CI) ; 5-(N-2,3-Dihydroxypropylacetamido)-2,4,6-triiodo-N,N'-bis(2,3-dihydroxypropyl)isophthalamide . It is a?white Solid,?used as imaging agent.

Use and Manufacturing

【Usage】

Imaging agent

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances used to allow enhanced visualization of tissues.

Supplier Location

Top Suppliers

Diamond member Nanjing Bangnuo Biotechnology Co., Ltd.
Country:ChinaChina
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Telephone:86-25-52178272
Diamond member Hubei XinRunde Chemical Co., Ltd
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Diamond member Hangzhou Dayangchem Co., Ltd.
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Diamond member Wuhan Fortuna Chemical Co., Ltd.
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Diamond member AOPHARM
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Telephone:86-311-66600578
Diamond member Jinlan Pharm-Drugs Technology Co., Limited
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Telephone:86-571-85829152
Diamond member Hangzhou J&H Chemical Co., Ltd
Country:ChinaChina
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Telephone:86-571-87396430
Diamond member Shulin Li
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-17083-639935
Diamond member Zhejiang Jianfeng Haizhou Pharmaceutical Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-576-88221016
Hui Chem Company Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-21-60542966

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