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HCID 2197Erstellt: 3. November 2026

Anisindione

dione · ANISINDIONE · andion · Miradon · spe2792 · Unidone · SPE 2792 · unidione

https://huagongshe.com/de/chemical/2197

Molekülstruktur von Anisindione

Identifikatoren & physikalische Daten

CAS No.117-37-3
SummenformelC16H12O3
Durchschnittliche Molmasse252,26 g/mol
Monoisotopische Masse252,07864424 g/mol
SMILESCOc1ccc(C2C(=O)c3ccccc3C2=O)cc1
InChIKeyXRCFXMGQEVUZFC-UHFFFAOYSA-N
PubChem CID2197
ChEMBLCHEMBL712
ChEBICHEBI:133809
EC No.204-186-6
DTXSIDDTXSID3022611

Chemische & physikalische Eigenschaften

XLogP2,9
Polarare Oberfläche (TPSA)43,4
H-Brücken-Donoren0
H-Brücken-Akzeptoren3
Frei drehbare Bindungen2
Schwere Atome19
Formalladung0
Komplexität344
ArzneimittelPharmaceuticals -> Listed in ZINC15
LogP (Verteilungskoeffizient)log Kow = 2.882.6
GeruchODORLESS OR HAS SLIGHTLY SWEET ODOR
Color/FormPale yellow crystals from acetic acid or ethanolFINE WHITE TO CREAM-WHITE CRYSTALLINE POWDER
LöslichkeitSLIGHTLY SOL IN ETHER, METHANOL, HYDROCHLORIC ACIDPRACTICALLY INSOL IN WATER, SOL IN METHYLENE CHLORIDE1.28e-02 g/LChloroform (Slightly)
Human DrugsFDA approved drugs -> Active ingredient
Schmelzpunkt155-156156-157 °C156.5 °C156-157°
Physical DescriptionSolid
Stability/Shelf LifeSTABLE IN LIGHT & AIR
Siedepunkt355.44°C (rough estimate)
Dichte1.1824 (rough estimate)
Brechungsindex1.5600 (estimate)
LagerbedingungenSealed in dry,Room Temperature
AggregatzustandSolid
pKa (Säurekonstante)pKa 4.13(H2O t=25.0±0.1 I=0.1(NaCl)) (Uncertain)
FarbeWhite to Off-White
InChIInChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3
InChIKeyXRCFXMGQEVUZFC-UHFFFAOYSA-N
SMILESC1(=O)C2=C(C=CC=C2)C(=O)C1C1=CC=C(OC)C=C1
EPA chemische InformationenAnisindione (117-37-3)

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 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Regulatorische InformationenHazard Traits - Developmental Toxicity
FDA-AnforderungenThe Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl anisindione, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
LagerbedingungenAnisindione tablets should be stored in tight containers at a temperature of less than 40 °Celsius, preferably between 15 to 30 °Celsius.
EntsorgungsverfahrenSRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
WechselwirkungenCorticotropin and adrenocorticosteroids...reported to cause severe hemorrhage when given with oral anticoagulants...this is rather puzzling, since thrombotic episodes are stated to occur more frequently in pt on steroid therapy, and oral anticoagulants...advised in prophylaxis of such complications. /oral anticoagulants/Large doses of salicylates have often been assoc with bleeding problems, especially in pt receiving oral anticoagulants. This may be due to direct gastric irritation, suppression of platelet function, or true hypoprothrombinemic effect. ...latter would be antagonized by vitamin K. /oral anticoagulants/Antimicrobials and other agents that alter intestinal microflora may enhance anti-vitamin K effect of oral anticoagulants, but this is usually not seen unless there is dietary deficiency of vitamin k. /oral anticoagulants/Thiazide diuretics and ethacrynic acid may enhance effects of oral anticoagulants. /oral anticoagulants/For more Interactions (Complete) data for ANISINDIONE (21 total), please visit the HSDB record page.

Anwendungen & Verwendung

Verwenden

radiopaque agent

Human Toxicity Excerpts/HUMAN EXPOSURE STUDIES/ Untoward effects incl hemorrhagic diathesis resulting from overdose and Dermatitis./HUMAN EXPOSURE STUDIES/ Bleeding is the major toxicity of oral anticoagulant drugs. ... Especially serious episodes involve sites where irreversible damage may result from compression of vital structures (e.g., intracranial, pericardial, nerve sheath, or spinal cord) or from massive internal blood loss that may not be diagnosed rapidly (e.g., gastrointestinal, intraperitoneal, retroperitoneal). /ORAL ANTICOAGULANTS/
Populations at Special RiskSRP: Persons with bleeding disorders or who are taking anticoagulants should be protected from exposure.
Antidote and Emergency TreatmentVitamin K1 is a specific antidote for anticoagulants, such as anisindione, which reduce prothrombin activity in the blood. Vitamin K1 may be administered orally or by injection, if the patient is not bleeding or if bleeding is slight. A few hours after the administration of vitamin K1 preparations, such as phytonadione, prothrombin activity increases and clotting time decreases. In the presents of more active hemorrhage, however, transfusions of whole blood or plamsa are required until the desired level of prothrombin activity is achieved. Treatment with vitamin K1 is the only adjunctive in such cases.
UN-Transportnummer2811
Toxizitätmouse,LD50,intraperitoneal,200mg/kg (200mg/kg),Journal of Medicinal Chemistry. Vol. 28, Pg. 1591, 1985.
Gefahrenklasse6.1(b)
VerpackungsgruppeIII
Gefahrstoffdaten117-37-3(Hazardous Substances Data)