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Mepenzolate bromide

Mepenzolate bromide structure

CAS No:
76-90-4
Formula:
C21H26NO3.Br
Chemical Name:
Mepenzolate bromide
Synonyms:
Piperidinium,3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1,1-dimethyl-,bromide (1:1);Piperidinium,3-hydroxy-1,1-dimethyl-,bromide,benzilate;3-Hydroxy-1,1-dimethylpiperidinium bromide benzilate;Piperidinium,3-[(hydroxydiphenylacetyl)oxy]-1,1-dimethyl-,bromide;Benzilic acid,ester with 3-hydroxy-1,1-dimethylpiperidinium bromide;JB 340;Cantil;Mepenzolate bromide;N-Methyl-3-piperidyl benzilate methyl bromide;1-Methyl-3-piperidyl benzilate methylbromide;N-Methyl-3-piperidyldiphenylglycolate methobromide;Gastropidil;Cantilaque;Cantilon;Trancolon;Cantril;Colibantil;Colopiril;Colum;Delevil;NSC 4358;Glycophenylate;88215-34-3
Categories:
Analytical Chemistry > Standard

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Description

Crystalline Solid

Mepenzolate bromide is a diarylmethane.

Mepenzolate bromide Basic Attributes

Molecular Weight：

420.34

Exact Mass：

419.11000

EC Number：

200-992-7

NSC Number：

757099|4358

DSSTox ID：

DTXSID4023252

HScode：

2933399090

Characteristics

PSA：

46.53000

XLogP3：

-0.33270

Melting Point：

228 °C (decomp)

Water Solubility：

>63.1 [ug/mL]

Storage Conditions：

Refrigerator

Toxicity：

Oral-rat LD50: 742 mg/kg; Oral-Mouse LD50: 900 mg/kg

Flammability characteristics：

Thermal decomposition releases toxic nitrogen oxides and bromide fumes

Collision Cross Section：

180.7 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

RTECS Number：

TN5710000

Marks：

Storage features：

The warehouse is low-temperature, ventilated and dry

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

Toxicity

Toxicity class：

moderately toxic

Drug Information

MeSH Entry Terms：

Cantil

Mepenzolate bromide Use and Manufacturing

Uses

Used as an anticholinergic

Use Classification：

Human Drugs -> FDA Approved Drug Products with Therapeutic Equivalence Evaluations (Orange Book) -> Active Ingredients

Computed Properties

Molecular Weight:420.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:419.10961
Monoisotopic Mass:419.10961
Topological Polar Surface Area:46.5
Heavy Atom Count:26
Complexity:432
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes