CAS 28416-66-2|(3-cyano-1,4-dimethyl-3-phenyl-pentyl)-dimethyl-ammonium citrate

Introduction：Basic information about CAS 28416-66-2|(3-cyano-1,4-dimethyl-3-phenyl-pentyl)-dimethyl-ammonium citrate, 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

Common Name	(3-cyano-1,4-dimethyl-3-phenyl-pentyl)-dimethyl-ammonium citrate
CAS Number	28416-66-2	Molecular Weight	434.48300
Density	0.952g/cm3	Boiling Point	346.1ºC at 760mmHg
Molecular Formula	C₂₂H₃₀N₂O₇	Melting Point	/
MSDS	/	Flash Point	136.2ºC

Names

Name	(3-cyano-1,4-dimethyl-3-phenyl-pentyl)-dimethyl-ammonium citrate

Chemical & Physical Properties

Density	0.952g/cm3
Boiling Point	346.1ºC at 760mmHg
Molecular Formula	C₂₂H₃₀N₂O₇
Molecular Weight	434.48300
Flash Point	136.2ºC
Exact Mass	434.20500
PSA	164.82000
Vapour Pressure	2.07E-13mmHg at 25°C
InChIKey	ZXASMEUEMIIBDZ-UHFFFAOYSA-N
SMILES	CC(CC(C#N)(c1ccccc1)C(C)C)N(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)O

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YV8521000

CHEMICAL NAME :: Valeronitrile, 4-(dimethylamino)-2-isopropyl-2-phenyl-, citrate

CAS REGISTRY NUMBER :: 28416-66-2

LAST UPDATED :: 199204

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C16-H24-N2.C6-H8-O7

MOLECULAR WEIGHT :: 436.56

WISWESSER LINE NOTATION :: NCXR&Y1&1&1Y1&N1&1 &QV1XQVQ1VQ

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 :: 250 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,2212,1971

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 220 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,2212,1971

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 36 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: JNDRAK Journal of New Drugs. (Albany, NY) V.1-6, 1961-66. For publisher information, see JCPCBR. Volume(issue)/page/year: 2,43,1962

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 274 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,2212,1971

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 157 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: 6,71,1982

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 52 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - excitement

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,2212,1971

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 36 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: JNDRAK Journal of New Drugs. (Albany, NY) V.1-6, 1961-66. For publisher information, see JCPCBR. Volume(issue)/page/year: 2,43,1962

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 36 mg/kg

TOXIC EFFECTS :: Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea

REFERENCE :: JNDRAK Journal of New Drugs. (Albany, NY) V.1-6, 1961-66. For publisher information, see JCPCBR. Volume(issue)/page/year: 2,43,1962 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7 gm/kg/28D-C

TOXIC EFFECTS :: Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960- Volume(issue)/page/year: 5,2212,1971

Recommended......