Allicin
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Allicin
structure -
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CAS No:
539-86-6
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Formula:
C6H10OS2
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Chemical Name:
Allicin
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Synonyms:
2-Propene-1-sulfinothioic acid,S-2-propen-1-yl ester;2-Propene-1-sulfinic acid,thio-,S-allyl ester;Allicin;2-Propene-1-sulfinothioic acid,S-2-propenyl ester;Diallyl thiosulfinate;Thio-2-propene-1-sulfinic acid S-allyl ester;Alliosan;Allisure Liquid;Allimed;Dianyctrsnlgide;3-[(Prop-2-ene-1-sulfinyl)sulfanyl]prop-1-ene;3-Prop-2-enylsulfinylsulfanylprop-1-ene
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CAS No:
Description
Light yellow oily liquid
Solid
Allicin is a sulfoxide and a botanical anti-fungal agent. It has a role as an antibacterial agent.|Allicin has been used in trials studying the treatment of Follicular Lymphoma.
Characteristics
61.6
1.3
Clear to slightly yellow liquid with a strong garlic-like flavour.
1.112 g/cm3 @ Temp: 20 °C
37 °C (decomp)
134 ºC
104.2ºC
1.567
24g/L(10 ºC)
LD50 in mice (mg/kg): 60 i.v.; 120 s.c. (Cavallito, Bailey)
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)|Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues. (See all compounds classified as Antioxidants.)|Substances which lower blood glucose levels. (See all compounds classified as Hypoglycemic Agents.)|Substances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY. (See all compounds classified as Free Radical Scavengers.)|Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS. (See all compounds classified as Hypolipidemic Agents.)
DADSO is a known human metabolite of diallyl disulfide.
allicin
Allicin Use and Manufacturing
Allicin is naturally formed by the action of the enzyme allicinase on alliin when the tissue of the garlic bulb is disrupted. Allicin shows antibacterial activity.
Computed Properties
Molecular Weight:162.3
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:162.01730729
Monoisotopic Mass:162.01730729
Topological Polar Surface Area:61.6
Heavy Atom Count:9
Complexity:120
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Drug Function and Efficacy
The pharmacological effects extracted from the above information are not clearly described
Registered Holders
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Xinjiang Huashi High-tech Pharmaceutical Co., Ltd.
Active
China
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CHIA TAI Tianqing Pharmaceutical Group Co., Ltd.
Active
China
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Jiangsu Chiatai Qingjiang Pharmaceutical Co., Ltd.
Active
China
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