CAS 1182-34-9|Cynarin

Introduction：Basic information about CAS 1182-34-9|Cynarin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Cynarin BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Synonyms

Common Name	Cynarin
CAS Number	1182-34-9	Molecular Weight	516.45
Density	1.6±0.1 g/cm3	Boiling Point	819.9±65.0 °C at 760 mmHg
Molecular Formula	C₂₅H₂₄O₁₂	Melting Point	225-227ºC
MSDS	Chinese	Flash Point	278.1±27.8 °C

Names

Name	cynarin
Synonym	More Synonyms

Cynarin BiologicalActivity

Description	1,4-Dicaffeoylquinic acid (1,4-DCQA) is a phenylpropanoid from Xanthii fructus, inhibits LPS-stimulated TNF-α production[1].
Related Catalog	Signaling Pathways >>Others >>OthersResearch Areas >>Inflammation/Immunology
References	[1]. Yoo SR, et al. Phytochemical Analysis on Quantification and the Inhibitory Effects on Inflammatory Responses from the Fruit of Xanthii fructus. Pharmacogn Mag. 2015 Oct;11(Suppl 4):S585-91.

Chemical & Physical Properties

Density	1.6±0.1 g/cm3
Boiling Point	819.9±65.0 °C at 760 mmHg
Melting Point	225-227ºC
Molecular Formula	C₂₅H₂₄O₁₂
Molecular Weight	516.45
Flash Point	278.1±27.8 °C
Exact Mass	516.126770
PSA	211.28000
LogP	1.99
Vapour Pressure	0.0±3.1 mmHg at 25°C
Index of Refraction	1.719
InChIKey	IYXQRCXQQWUFQV-ZYCLUUQBSA-N
SMILES	O=C(C=Cc1ccc(O)c(O)c1)OC1C(O)CC(OC(=O)C=Cc2ccc(O)c(O)c2)(C(=O)O)CC1O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GD8970000

CHEMICAL NAME :: Cinnamic acid, 3,4-dihydroxy-, 1-carboxy-3,5-dihydroxy-1,4-cyclohexylene ester, hydrate

CAS REGISTRY NUMBER :: 1182-34-9

LAST UPDATED :: 199406

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C25-H24-O12.H2-O

MOLECULAR WEIGHT :: 534.51

WISWESSER LINE NOTATION :: L6TJ AQ BOV1U1R CQ DQ& CQ EVQ EOV1U1R CQ DQ &QH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 117,63,1958

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1900 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 117,63,1958

Safety Information

Hazard Codes	Xn;N
Risk Phrases	R22;R43;R50/53
Safety Phrases	S36/37-S60-S61
RIDADR	UN 3077
HS Code	2932999099

Customs

HS Code	2932999099
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

1,3-DICAFFEOYLQUINIC ACID

1.3-O-Dicaffeoylquinic acid

Indena Cinaran

cin

plemocil

(1S,2S,3S,4R)-1,4-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid

cinarcaf

Cyclohexanecarboxylic acid, 1,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-2,3-dihydroxy-, (1S,2S,3S,4R)-

CINARINE

cynarine

(1S,2S,3S,4R)-1,4-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy}-2,3-dihydroxycyclohexanecarboxylic acid

cyclohexanecarboxylic acid, 1,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-2,3-dihydroxy-, (1S,2S,3S,4R)-

listrocol

cyn

CINARAN

EINECS 214-655-7

(1S,2S,3S,4R)-1,2,3-trihydroxycyclohexane-1,4-diyl (2E,2'E)bis[3-(3,4-dihydroxyphenyl)acrylate]

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