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Bexarotene d4

ISO 17034:
Catalog Number : CS-O-15677
CAS Number : 153559-49-0(Unlabeled)
Status : Available
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Chemical Information

Chemical Name : Bexarotene d4
Category : Isotope Labelled Compounds
Purity : >98
Synonyms : "4‐[1‐(3,5,5,8,8‐pentamethyl‐5,6,7,8‐tetrahydronaphthalen-2‐yl)ethenyl](D4)benzoic acid"
Molecular Weight : 352.5 mol/g
Molecular Formula : C24H24D4O2
Application : "Labeled Bexarotene, intended for use as an internal standard for the quantification of Bexarotene by GC- or LC-mass spectrometry."
Therapeutic : Anti-Cancer / Oncology

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Additional Information

Bexarotene, sold under the brand Targretin, is an antineoplastic (anti-cancer) agent used for the treatment of cutaneous T cell lymphoma (CTCL). It is a third-generation retinoid.

It was approved by the U.S. Food and Drug Administration (FDA) in December 1999, and the European Medicines Agency (EMA) in March 2001. It is available as a generic medication.

References : "Boehm, M,F,, et al,: J, Med, Che,, 37,2930 (1994), Gottardis, M,M,, et al,: Cancer Res,, 56, 5566 (1996), Mukherjee, R,, et al,: Nature, 386, 407 (1997), Miller, V,A,, et al,: J, Clin, Oncol,, 15, 790 (1997)"
Canonical SMILES : CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C
Isomeric SMILES : CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C
InChI : InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
IUPAC Name : 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
Exact Mass : 348.208930132
Color : Off-white to white powder
Melting Point : 230-231 °C
Solubility : Insoluble in water and slightly soluble in vegetable oils and ethanol
Use Classification : Human drugs -> Targretin -> EMA Drug Category
Hazard Class : Acute Tox. 4 (12.5%)
Description : Bexarotene is a retinoid, a member of benzoic acids and a member of naphthalenes. It has a role as an antineoplastic agent.
Disposal Methods : /PRECAUTIONS FOR ANTINEOPLASTIC AGENTS:/ All contaminated disposables should be contained in sealable bags for transfer to larger waste containers. /Antineoplastic agents/
EC Number : 681-650-8
Vapor Pressure : 3.5X10-9 mm Hg at 25 °C (est)
Antidoteand Emergency Treatment : Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/
Human Toxicity Excerpts : /HUMAN EXPOSURE STUDIES/ Doses up to 1000 mg/sq m /day of /bexarotene/ capsules have been administered in short-term studies in patients with advanced cancer without acute toxic effects.