CAS 5585-71-7|1H-Indole,1-(phenylmethyl)-3-[2-(4-pyridinyl)ethyl]-, hydrochloride (1:1)

Introduction：Basic information about CAS 5585-71-7|1H-Indole,1-(phenylmethyl)-3-[2-(4-pyridinyl)ethyl]-, hydrochloride (1:1), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Synonyms

Common Name	1H-Indole,1-(phenylmethyl)-3-[2-(4-pyridinyl)ethyl]-, hydrochloride (1:1)
CAS Number	5585-71-7	Molecular Weight	348.86900
Density	1.08g/cm3	Boiling Point	503.8ºC at 760 mmHg
Molecular Formula	C₂₂H₂₁ClN₂	Melting Point	/
MSDS	/	Flash Point	258.5ºC

Names

Name	1H-Indole,1-(phenylmethyl)-3-[2-(4-pyridinyl)ethyl]-, hydrochloride (1:1)
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.08g/cm3
Boiling Point	503.8ºC at 760 mmHg
Molecular Formula	C₂₂H₂₁ClN₂
Molecular Weight	348.86900
Flash Point	258.5ºC
Exact Mass	348.13900
PSA	17.82000
LogP	5.67180
Index of Refraction	1.616
InChIKey	FPHIGGMDBMWPDB-UHFFFAOYSA-N
SMILES	C1=C(CCc2ccncc2)c2ccccc2[NH+]1Cc1ccccc1.[Cl-]

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NL5075000

CHEMICAL NAME :: Indole, 1-benzyl-3-(2-(4-pyridyl)ethyl)-, monohydrochloride

CAS REGISTRY NUMBER :: 5585-71-7

LAST UPDATED :: 199009

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C22-H20-N2.Cl-H

MOLECULAR WEIGHT :: 348.90

WISWESSER LINE NOTATION :: T56 BNJ B1R& D2- DT6NJ &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 714 ug/kg/D

TOXIC EFFECTS :: Behavioral - antianxiety Vascular - BP elevation not characterized in autonomic section

REFERENCE :: AMCTAH Antibiotic Medicine and Clinical Therapy (New York). (New York, NY) V.3-8, 1956-61. For publisher information, see CLMEA3. Volume(issue)/page/year: 6,521,1959

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 520 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - ataxia Lungs, Thorax, or Respiration - other changes

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 125,122,1959

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 98 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 125,122,1959

Synonyms

Benzindopyrine

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