Sulforaphane
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Sulforaphane
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CAS No:
4478-93-7
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Formula:
C6H11NOS2
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Chemical Name:
Sulforaphane
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Synonyms:
Butane,1-isothiocyanato-4-(methylsulfinyl)-;Isothiocyanic acid,4-(methylsulfinyl)butyl ester;Sulforaphan;1-Isothiocyanato-4-(methylsulfinyl)butane;Sulforaphane;4-Methylsulfinylbutyl isothiocyanate;Detoxophane;BroccoPhane;142925-33-5
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CAS No:
Description
Sulforaphane is an isothiocyanate present naturally in widely consumed vegetables; has shown anticancer and cardioprotective activities.
Solid
Sulforaphane is an isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen. It has a role as an antineoplastic agent, a plant metabolite, an antioxidant and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a sulfoxide and an isothiocyanate.
Characteristics
80.73000
2.11360
Solid
1.17g/cm3
125-135 °C @ Press: 0.01 Torr
176.5ºC
1.567
DMSO: 40 mg/mL, soluble
-20ºC
Drug Information
Agents that reduce the frequency or rate of spontaneous or induced tumors independently of the mechanism involved. (See all compounds classified as Anticarcinogenic Agents.)
(+-)-sulforaphane
Sulforaphane Use and Manufacturing
Potent, selective inducer of phase II detoxification enzymes with anticarcinogenic properties. Occurs naturally in broccoli. It was found to inhibit chemically induced mammary tumor formation in rats. Antitumor agent
Computed Properties
Molecular Weight:177.3
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:177.02820632
Monoisotopic Mass:177.02820632
Topological Polar Surface Area:80.7
Heavy Atom Count:10
Complexity:152
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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