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Pipenzolate bromide

Pipenzolate bromide structure

CAS No:
125-51-9
Formula:
C22H28NO3.Br
Chemical Name:
Pipenzolate bromide
Synonyms:
Piperidinium,1-ethyl-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1-methyl-,bromide (1:1);Piperidinium,1-ethyl-3-hydroxy-1-methyl-,bromide,benzilate;1-Ethyl-3-hydroxy-1-methylpiperidinium bromide benzilate;Piperidinium,1-ethyl-3-[(hydroxydiphenylacetyl)oxy]-1-methyl-,bromide;Benzilic acid,ester with 1-ethyl-3-hydroxy-1-methylpiperidinium bromide;JB 323;N-Ethyl-3-piperidyl benzilate methobromide;Pipenzolate methobromide;Piptal;QPB;Pipenzolate bromide;Piper;Piptalake;Piptal (tablet);Pibenzolone bromide;NSC 4347;Babytal;1-Ethyl-3-(2-hydroxy-2,2-diphenylacetoxy)-1-methylpiperidin-1-ium bromide
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

JB 323 is a DEA Schedule I controlled substance. Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse.

Pipenzolate bromide Basic Attributes

Molecular Weight：

434.37

Exact Mass：

433.12500

EC Number：

204-741-2

UNII：

JPX41DUS2B

DEA Code Number：

7482

NSC Number：

758221|4347

DSSTox ID：

DTXSID2023480

HScode：

2933399090

Characteristics

PSA：

46.53000

XLogP3：

0.05740

Appearance：

white powder

Melting Point：

179.5 °C

Collision Cross Section：

183.8 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：

RTECS Number：

TN5425000

Marks：

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 41 companies from 2 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

1-ethyl-3-hydroxy-1-methylpiperidinium bromide benzilate

DEA Controlled Substances：

N-Ethyl-3-piperidyl benzilate|JB 323|7482|Schedule I - Substances in the DEA Schedule I have no currently accepted medical use in the United States, a lack of accepted safety for use under medical supervision, and a high potential for abuse.|No

Pipenzolate bromide Use and Manufacturing

antispasmodic

Computed Properties

Molecular Weight:434.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:433.12526
Monoisotopic Mass:433.12526
Topological Polar Surface Area:46.5
Heavy Atom Count:27
Complexity:450
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes