Introduction：Basic information about CAS 89797-00-2|Iopentol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Iopentol |
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| CAS Number | 89797-00-2 | Molecular Weight | 835.16 |
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| Density | 2.095g/cm3 | Boiling Point | 858.8ºC at 760 mmHg |
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| Molecular Formula | C20H28I3N3O9 | Melting Point | / |
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| MSDS | / | Flash Point | 473.2ºC |
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Names
| Name | 5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide |
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| Synonym | More Synonyms |
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Iopentol BiologicalActivity
| Description | Iopentol is a non-ionic, intravascular contrast media[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Aulie Michelet A. Effects of intravascular contrast media on blood-brain barrier. Comparison between iothalamate, iohexol, iopentol and iodixanol. Acta Radiol. 1987 May-Jun;28(3):329-33. |
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Chemical & Physical Properties
| Density | 2.095g/cm3 |
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| Boiling Point | 858.8ºC at 760 mmHg |
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| Molecular Formula | C20H28I3N3O9 |
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| Molecular Weight | 835.16 |
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| Flash Point | 473.2ºC |
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| Exact Mass | 834.89600 |
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| PSA | 195.87000 |
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| LogP | 0.17620 |
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| Index of Refraction | 1.693 |
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| InChIKey | IUNJANQVIJDFTQ-UHFFFAOYSA-N |
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| SMILES | COCC(O)CN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CZ2211000
- CHEMICAL NAME :
- 1,3-Benzenedicarboxamide, 5-(acetyl(2-hydroxy-3-methoxypropyl)amino)-N,N'-bis (2,3-dihydroxypropyl)-2,4,6-triiodo-
- CAS REGISTRY NUMBER :
- 89797-00-2
- LAST UPDATED :
- 199509
- DATA ITEMS CITED :
- 3
- MOLECULAR FORMULA :
- C20-H28-I3-N3-O9
- MOLECULAR WEIGHT :
- 835.21
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 22573 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARASA5 Acta Radiologica, Supplementum. (Acta Radiologica, POB 7449, S-10391 Stockholm, Sweden) No.1- 1921- Volume(issue)/page/year: 370,41,1987
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 42517 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARASA5 Acta Radiologica, Supplementum. (Acta Radiologica, POB 7449, S-10391 Stockholm, Sweden) No.1- 1921- Volume(issue)/page/year: 370,41,1987 ** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Primate - monkey
- DOSE/DURATION :
- 553 gm/kg/28D-I
- TOXIC EFFECTS :
- Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Endocrine - changes in thyroid weight
- REFERENCE :
- ARASA5 Acta Radiologica, Supplementum. (Acta Radiologica, POB 7449, S-10391 Stockholm, Sweden) No.1- 1921- Volume(issue)/page/year: 370,45,1987
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Safety Information
| RIDADR | NONH for all modes of transport |
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Synonyms
| IOPENTOL |
| UNII-7D6XWX076T |
| Iopentolum |
| Imagopaque |
