(±)-Catechol
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(±)-Catechol
structure -
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CAS No:
7295-85-4
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Formula:
C15H14O6
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Chemical Name:
(±)-Catechol
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Synonyms:
2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2R,3S)-rel-;Catechol,(±)-;2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-,trans-(±)-;rel-(2R,3S)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol;dl-Catechin;dl-Catechol;(±)-Catechol;(±)-Catechin;DL-Catechin;rac-Catechin;Racemic catechin;2H-1-Benzopyran-3,5,7-triol,2-(3,4-dihydroxyphenyl)-3,4-dihydro-,trans-;29907-20-8;72690-97-2
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CAS No:
Description
Solid
(+)-catechin is the (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. It has a role as an antioxidant and a plant metabolite. It is an enantiomer of a (-)-catechin.|An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.|Flavocoxid is a medical food consisting of plant derived flavonoids which have antiinflammatory activity and are used to treat chronic osteoarthritis. Flavocoxid has been linked to minor elevations in serum enzyme levels during therapy and to rare instances of clinically apparent liver injury.
(±)-Catechol Basic Attributes
308.28
290.27
230-731-2
8R1V1STN48
755824|2819
DTXSID3022322
2932999099
Characteristics
119.61000
1.48180
White to yellow powder
1.593±0.06 g/cm3(Predicted)
212-216 °C
630.38°C.@760.00mmHg(est)
6.311e+004 mg/L @ 25 °C (est)
2-8°C
165.18 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]|184.42 Ų [M+Na]+ [CCS Type: DT, Method: stepped-field]|159.96 Ų [M-H]- [CCS Type: DT, Method: stepped-field]|159.4 Ų [M-H]-
Safety Information
3
36/37/38
26-36
Xi
|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 42 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory.|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Toxicity
In premarketing clinical trials, serum aminotransferase elevations occurred in up to 10% of patients on flavocoxid therapy, but elevations above 3 times the upper limit of normal occurred in only 1% to 2% of recipients. Since its release, however, there have been several reports of clinically apparent acute liver injury attributed to flavocoxid. Most cases have occurred in women, who perhaps are more likely to use flavocoxid. The time to onset was 1 to 5 months, and the pattern of enzyme elevations was usually hepatocellular or mixed. Most cases were moderate in severity and no instance of acute liver failure or death has been reported. Resolution upon stopping flavocoxid occurred in 1 to 3 months. Immunoallergic features were present in some patients, but were mild and autoantibodies were not common. At least one instance of recurrence upon rechallenge has been reported.
107.15 L/kg
Drug Information
Flavocoxid is a medical food consisting of plant derived flavonoids which have antiinflammatory activity and are used to treat chronic osteoarthritis. Flavocoxid has been linked to minor elevations in serum enzyme levels during therapy and to rare instances of clinically apparent liver injury.
Herbal and Dietary Supplements
(+)-Catechin
(±)-Catechol Use and Manufacturing
Catechin is an important component of tea. It has a strong effect of scavenging free radicals and anti-oxidation. This effect is also the basis of other pharmacological effects of catechins; catechins also have the protection of cardiovascular and cerebrovascular, anti-tumor, anti-bacterial, and anti-virus , Anti-inflammatory, protect nerve, liver, kidney, weight loss, anti-diabetic and many other effects. It can also be used in dye and tanning industries.
Gambier: ACTIVE
Polyketides [PK] -> Flavonoids [PK12] -> Flavans, Flavanols and Leucoanthocyanidins [PK1202]
Computed Properties
Molecular Weight:290.27
XLogP3:0.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:290.07903816
Monoisotopic Mass:290.07903816
Topological Polar Surface Area:110
Heavy Atom Count:21
Complexity:364
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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