CAS 90-22-2|Valethamate Bromide

Introduction：Basic information about CAS 90-22-2|Valethamate Bromide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Valethamate Bromide 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	Valethamate Bromide
CAS Number	90-22-2	Molecular Weight	386.37
Density	/	Boiling Point	/
Molecular Formula	C₁₉H₃₂BrNO₂	Melting Point	127 °C(dec.)
MSDS	/	Flash Point	/

Names

Name	Valethamate Bromide
Synonym	More Synonyms

Valethamate Bromide BiologicalActivity

Description	Valethamate bromide is an ester and is a potent rapidly acting anticholinergic spasmolytic and musculotropic agent which accelerates labor by improving cervical dilation[1].
Related Catalog	Research Areas >>OthersSignaling Pathways >>Others >>Others
References	[1]. Sharma JB, et al. Drotaverine hydrochloride vs. valethamate bromide in acceleration of labor. Int J Gynaecol Obstet. 2001;74(3):255-260.

Chemical & Physical Properties

Melting Point	127 °C(dec.)
Molecular Formula	C₁₉H₃₂BrNO₂
Molecular Weight	386.37
Exact Mass	385.161621
PSA	26.30000
LogP	0.84990
InChIKey	CEJGGHKJHDHLAZ-UHFFFAOYSA-M
SMILES	CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-]

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: BP7600000

CHEMICAL NAME :: Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, 3-methyl-2-phenylvalerate

CAS REGISTRY NUMBER :: 90-22-2

LAST UPDATED :: 199106

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C19-H32-N-O2.Br

MOLECULAR WEIGHT :: 386.43

WISWESSER LINE NOTATION :: 2Y1&YR&VO2K2&2&1 &E

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 :: 1260 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: 6,352,1982

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 575 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: 6,352,1982

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4200 ug/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: 6,352,1982

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 330 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,599,1955

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 105 mg/kg

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

REFERENCE :: OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,245,1974

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 4200 ug/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: 6,352,1982

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 9500 ug/kg

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

REFERENCE :: 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,123,1969

Safety Information

Hazard Codes	Xi
Risk Phrases	R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Phrases	24/25
RIDADR	UN 2811
HS Code	2923900090

Customs

HS Code	2923900090
Summary	2923900090 other quaternary ammonium salts and hydroxides。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

Synonyms

Epidosin

EINECS 201-977-8

diethyl-methyl-[2-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium,bromide

Resitan

MFCD00031617

N,N-Diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]ethanaminium bromide

Valethamate Bromide

2-Phenyl-3-methylvaleric Acid b-(Diethylamino)ethyl Ester Bromomethylate

Ethanaminium, N,N-diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, bromide

N,N-Diethyl-N-methyl-2-[(3-methyl-2-phenylpentanoyl)oxy]ethanaminium bromide

Ethanaminium, N,N-diethyl-N-methyl-2-[(3-methyl-1-oxo-2-phenylpentyl)oxy]-, bromide (1:1)

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