CAS 2295-58-1|Flopropione

Introduction：Basic information about CAS 2295-58-1|Flopropione, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Flopropione 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	Flopropione
CAS Number	2295-58-1	Molecular Weight	182.17300
Density	1.372g/cm3	Boiling Point	341.7ºC at 760mmHg
Molecular Formula	C₉H₁₀O₄	Melting Point	177°C
MSDS	/	Flash Point	174.7ºC

Names

Name	1-(2,4,6-trihydroxyphenyl)propan-1-one
Synonym	More Synonyms

Flopropione BiologicalActivity

Description	Flopropione is a 5-HT1A receptor antagonist and also a catechol-o-methyltransferase (COMT) inhibitor.
Related Catalog	Signaling Pathways >>GPCR/G Protein >>5-HT ReceptorSignaling Pathways >>Neuronal Signaling >>5-HT ReceptorSignaling Pathways >>Metabolic Enzyme/Protease >>COMTSignaling Pathways >>Neuronal Signaling >>COMTResearch Areas >>Neurological Disease
Target	5-HT1A receptor[1], COMT[2]
References	[1]. Aso Y et al. Relationship between the crystallization rates of amorphous nifedipine, phenobarbital, and flopropione, and their molecular mobility as measured by their enthalpy relaxation and (1)H NMR relaxation times. J Pharm Sci 89:408-16 (2000). [2]. Cospanon®. (2007).

Chemical & Physical Properties

Density	1.372g/cm3
Boiling Point	341.7ºC at 760mmHg
Melting Point	177°C
Molecular Formula	C₉H₁₀O₄
Molecular Weight	182.17300
Flash Point	174.7ºC
Exact Mass	182.05800
PSA	77.76000
LogP	1.39610
Vapour Pressure	4E-05mmHg at 25°C
Index of Refraction	1.618
InChIKey	PTHLEKANMPKYDB-UHFFFAOYSA-N
SMILES	CCC(=O)c1c(O)cc(O)cc1O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UH4429100

CHEMICAL NAME :: Propiophenone, 2',4',6'-trihydroxy-

CAS REGISTRY NUMBER :: 2295-58-1

BEILSTEIN REFERENCE NO. :: 2096799

LAST UPDATED :: 199701

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C9-H10-O4

MOLECULAR WEIGHT :: 182.19

WISWESSER LINE NOTATION :: 2VR BQ DQ FQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2380 mg/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 412 mg/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 640 mg/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 246 mg/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2780 mg/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 578 mg/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 804 mg/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 mg/kg

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

REFERENCE :: NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,734,1982

Safety Information

Hazard Codes	Xi
Risk Phrases	36/37/38
Safety Phrases	S26-S36/37/39
RTECS	UH4429100
HS Code	2914501900

Customs

HS Code	2914501900
Summary	2914501900 other ketone-phenols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Synonyms

Argobyl

Cospanon

Flopropione

Phloropropiophenone

Gasstenon

EINECS 218-942-8

Ecapron

2',4',6'-Trihydroxypropiophenone

MFCD00016456

Phlopropiophenone

1-(2,4,6-trihydroxyphenyl)-1-propanone

Flopropion

Chlonarin

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