Valethamate Bromide

Modify Date: 2026-07-08 07:15:07

Valethamate Bromide structure	Common Name	Valethamate Bromide
	CAS Number	90-22-2	Molecular Weight	386.37
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₁₉H₃₂BrNO₂	Melting Point	127 °C(dec.)
	MSDS	N/A	Flash Point	N/A

Use of Valethamate Bromide

Valethamate bromide is an ester and is a potent rapidly acting anticholinergic spasmolytic and musculotropic agent which accelerates labor by improving cervical dilation[1].

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	Valethamate Bromide
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

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 >> Others Signaling 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.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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-]

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

Valethamate Bromide MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

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

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

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%

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: DRUGMATRIX: Opiate delta1 (OP1, DOP) radioligand binding (ligand: [3H] Naltrindole)
Source: ChEMBL
Target: Delta-type opioid receptor
External Id: CHEMBL1909180

Name: DRUGMATRIX: Nitric Oxide Synthase, Inducible (iNOS) enzyme inhibition (substrate: L-A...
Source: ChEMBL
Target: Nitric oxide synthase, inducible
External Id: CHEMBL1909179

Name: DRUGMATRIX: Opiate mu (OP3, MOP) radioligand binding (ligand: [3H] Diprenorphine)
Source: ChEMBL
Target: Mu-type opioid receptor
External Id: CHEMBL1909182

Name: DRUGMATRIX: Opiate kappa (OP2, KOP) radioligand binding (ligand: [3H] Diprenorphine)
Source: ChEMBL
Target: Kappa-type opioid receptor
External Id: CHEMBL1909181

Name: DRUGMATRIX: Phosphodiesterase PDE3 enzyme inhibition (substrate: [3H]cAMP + cAMP)
Source: ChEMBL
Target: N/A
External Id: CHEMBL1909184

Name: DRUGMATRIX: Phorbol Ester radioligand binding (ligand: [3H] PDBu)
Source: ChEMBL
Target: N/A
External Id: CHEMBL1909183

Name: DRUGMATRIX: Phosphodiesterase PDE5 enzyme inhibition (substrate: [3H]cGMP + cGMP)
Source: ChEMBL
Target: cGMP-specific 3',5'-cyclic phosphodiesterase
External Id: CHEMBL1909186

Name: DRUGMATRIX: Phosphodiesterase PDE4 enzyme inhibition (substrate: [3H]cAMP + cAMP)
Source: ChEMBL
Target: N/A
External Id: CHEMBL1909185

Name: DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine)
Source: ChEMBL
Target: Muscarinic acetylcholine receptor M3
External Id: CHEMBL1909172

Name: DRUGMATRIX: Muscarinic M2 radioligand binding (ligand: [3H] N-Methylscopolamine)
Source: ChEMBL
Target: Muscarinic acetylcholine receptor M2
External Id: CHEMBL1909171

Total 196, Current Page 1 of 20

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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)

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the LogP of Valethamate Bromide?

A: LogP of Valethamate Bromide is 0.84990.

Q: What is the English name of Valethamate Bromide?

A: The English name of Valethamate Bromide is Valethamate Bromide.

Q: What is the molecular weight of Valethamate Bromide?

A: Molecular weight of Valethamate Bromide is 386.37.

Q: What are the uses of Valethamate Bromide?

A: Main uses of Valethamate Bromide: Valethamate bromide is an ester and is a potent rapidly acting anticholinergic spasmolytic and musculotropic agent which accelerates labor by improving cervical dilation[1].

Q: What is the molecular formula of Valethamate Bromide?

A: Molecular formula of Valethamate Bromide is C19H32BrNO2.

Q: What is the SMILES notation of Valethamate Bromide?

A: SMILES notation of Valethamate Bromide is CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-].

Q: What is the safety information for Valethamate Bromide?

A: Safety information for Valethamate Bromide: 24/25.

Q: What is the melting point of Valethamate Bromide?

A: Melting point of Valethamate Bromide is 127 °C(dec.).

Q: What is the InChIKey of Valethamate Bromide?

A: InChIKey of Valethamate Bromide is CEJGGHKJHDHLAZ-UHFFFAOYSA-M.

Q: What is the CAS number of Valethamate Bromide?

A: CAS number of Valethamate Bromide is 90-22-2.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

Dayang Chem (Hangzhou) Co., Ltd.

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China
Product Name: Valethamate Bromide
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Valethamate bromide
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

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