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HCID 3735Erstellt: 26. Oktober 2026

Iopansure

Iopanoic · 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid · colepax · win2011 · Bilipac · cistobil · cholevid · COPANOIC

https://huagongshe.com/de/chemical/3735

Molekülstruktur von Iopansure

Identifikatoren & physikalische Daten

CAS No.96-83-3
SummenformelC11H12I3NO2
Durchschnittliche Molmasse570,93 g/mol
Monoisotopische Masse570,8002 g/mol
SMILESCCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O
InChIKeyOIRFJRBSRORBCM-UHFFFAOYSA-N
PubChem CID3735
ChEMBLCHEMBL867
ChEBICHEBI:5951
EC No.202-539-9
DTXSIDDTXSID6023159
Lokaler NameIopansure

Chemische & physikalische Eigenschaften

XLogP3,9
Polarare Oberfläche (TPSA)63,3
H-Brücken-Donoren2
H-Brücken-Akzeptoren3
Frei drehbare Bindungen4
Schwere Atome17
Formalladung0
Komplexität277
GeruchFAINTLY AROMATIC
GeschmackTASTELESS
Color/FormPOWDER
LöslichkeitCREAM-COLORED SOLIDSOL IN DIL ALKALI, 95% ALC, OTHER ORG SOLVENTS /DL-ISOMER/INSOL IN WATERSOL IN CHLOROFORM & ETHERSOL IN SOLN OF ALKALI HYDROXIDES & CARBONATESDMSO, Methanol348.3mg/L(37 ºC)
SchmelzpunktMELTS WITH DECOMP BETWEEN 152 DEG & 158 °CCRYSTALSSPECIFIC OPTICAL ROTATION (ETHANOL, 2%): -5.2 +/- 0.1 DEG @ 20 °C/DMP: 162-163 °C /L-ISOMER/SPECIFIC OPTICAL ROTATION (ETHANOL, 2%): +5.1 +/- 0.1 DEG @ 20 °C/DMP: 162 °C /D-ISOMER/153 °C
Stability/Shelf LifeDARKENS ON EXPOSURE TO LIGHT
Collision Cross Section171.5 Ų [M]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID6023159]172.7 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Siedepunkt529.1±50.0 °C(Predicted)
Dichte2.2567 (estimate)
Lagerbedingungen2-8°C
pKa (Säurekonstante)4.8(at 25℃)
AggregatzustandSolid
FarbeLight Brown
Merck14,5058
BCS Class2
Hauptanwendungenpharmaceutical (small molecule)
InChI1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
InChIKeyOIRFJRBSRORBCM-UHFFFAOYSA-N
SMILESO=C(O)C(CC)CC1=C(I)C(N)=C(I)C=C1I
CAS Datenbank96-83-3(CAS DataBase Reference)
EPA chemische InformationenBenzenepropanoic acid, 3-amino-.alpha.-ethyl-2,4,6-triiodo- (96-83-3)

Sicherheit & Vorschriften

GHS-EinstufungWarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Weitere SicherheitsinformationenIMAP assessments - Benzenepropanoic acid, 3-amino-.alpha.-ethyl-2,4,6-triiodo-: Environment tier I assessmentIMAP assessments - Benzenepropanoic acid, 3-amino-.alpha.-ethyl-2,4,6-triiodo-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
WechselwirkungenRESULTS INDICATE THAT HEPATIC METABOLISM OF IOPANOATE TO ITS GLUCURONIDE IS DECREASED BY ETHER & PENTOBARBITAL ANESTHESIA IN COMPARISON TO URETHANE ANESTHESIA OR DECEREBRATION.A SINGLE CASE HAS BEEN REPORTED OF POOR RADIOGRAPHIC VISUALIZATION OF THE GALL BLADDER DUE APPARENTLY TO AN INTERACTION BETWEEN IOPANOIC ACID AND CHOLESTYRAMINE WITHIN THE GUT.IOPANOIC ACID ADMIN RESULTS IN INCR SULFOBROMOPHTHALEIN (BSP) RETENTION, PROBABLY BY COMPETING WITH BSP FOR CONCN AND EXCRETION BY THE LIVER.STUDIES ON THE FACTORS THAT INFLUENCE THE INTESTINAL ABSORPTION OF CHOLECYSTOPAQUES REVEALED THAT CHOLESTYRAMINE DECREASED THE ABSORPTION OF IOPANOIC ACID. IOPANOIC ACID WAS ABSORBED RELATIVELY SLOWLY & EXCRETED AT A CONSTANT RATE.IN HEALTHY SUBJECTS, TEMPORAL CHANGES IN THE RESPONSES OF SERUM TSH & PROLACTIN (PRL) TO A FIXED DOSE OF TRH (SYNTHETIC TSH-RELEASING HORMONE, 500 MUG, IV) WERE STUDIED & SERUM T4, T3, & RT3 CONCN WERE ASSESSED BEFORE, IMMEDIATELY AFTER, & THEN AT WEEKLY INTERVALS AFTER THE 3 DAILY DOSES OF IOPANOIC ACID. BOTH BASAL & TRH-STIMULTED TSH CONCN WERE INCREASED AT THE END OF THE PERIOD OF IP ADMIN. SERUM T3 CONCN WAS DECREASED.
Human Toxicity ExcerptsOCCASIONALLY, NAUSEA & DIARRHEA &, RARELY, DYSURIA HAVE FOLLOWED ITS ADMIN. A MILD STINGING SENSATION DURING URINATION MAY OCCUR. HYPERSENSITIVITY REACTIONS INVOLVING THE SKIN, MUCOUS MEMBRANE, AND A SYSTEMIC SERUM SICKNESS-TYPE REACTION HAVE BEEN REPORTED.MEDIA USED FOR GI ROENTGENOGRAPHY & AGENTS ADMIN ORALLY MAY CAUSE NAUSEA, VOMITING, & DIARRHEA. ACUTE TUBULAR NECROSIS HAS BEEN REPORTED TO BE THE CONSEQUENCE OF INGESTION OF CERTAIN GALLBLADDER DYES. /IODINATED CONTRAST MEDIA/ONSET OF ACUTE IODIDE POISONING MAY OCCUR IMMEDIATELY OR SEVERAL HR AFTER ADMIN. ANGIOEDEMA IS OUTSTANDING SYMPTOM, & SWELLING OF LARYNX MAY LEAD TO SUFFOCATION. MULTIPLE CUTANEOUS HEMORRHAGES MAY BE PRESENT. ALSO MANIFESTATIONS OF SERUM-SICKNESS TYPE HYPERSENSITIVITY, SUCH AS FEVER, ARTHRALGIA, LYMPH NODE ENLARGEMENT, & EOSINOPHILIA, MAY APPEAR. THROMBOTIC THROMBOCYTOPENIC PURPURA & FATAL PERIARTERITIS NODOSA ATTRIBUTED TO HYPERSENSITIVITY TO IODIDE HAS BEEN DESCRIBED. /IODINE PREPN/AUTHORS REPORT A CASE OF A MIDDLE-AGED FEMALE WITH SEVERE THROMBOCYTOPENIA FOLLOWING ORAL CHOLECYSTOGRAPHY WITH IOPANOIC ACID, A WIDELY USED CONTRAST MEDIUM. A BONE MARROW ASPIRATE SHOWED INCREASED NUMBERS OF MEGAKARYOCYTES, SUGGESTING A THROMBOCYTOPENIA DUE TO ENHANCED PERIPHERAL DESTRUCTION OF PLATELETS.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Wassergefährdungsklasse (WGK)1
Zollcode2922.49.3700
RTECS-Nr.NW5075000
R-Sätze (R)20/21/22
Sicherheitshinweise (S)22-26-36/37/39
Lagerklasse11 - Combustible Solids
Gefahrstoffdaten96-83-3(Hazardous Substances Data)
GefahrenklasseAcute Tox. 4 Oral

Anwendungen & Verwendung

Verwenden

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