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Tropacocaine

Tropacocaine structure

CAS No:
537-26-8
Formula:
C15H19NO2
Chemical Name:
Tropacocaine
Synonyms:
8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-,3-benzoate,(3-exo)-;Tropacocaine;1αH,5αH-Tropan-3β-ol,benzoate (ester);8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-,benzoate (ester),exo-;8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-,benzoate (ester),(3-exo)-;Pseudotropine,benzoate (ester);Pseudotropine benzoate;ψ-Tropine benzoate;Tropacaine;Tropacocain;Benzoylpseudotropine;3β-Benzoyloxytropane;16175-58-9
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Tropacocaine Basic Attributes

Molecular Weight：

245.322

Exact Mass：

245.32

EC Number：

211-281-6

UNII：

1I92X32F6H

HScode：

2933990090

Characteristics

PSA：

29.5

XLogP3：

2.40650

Density：

1.15g/cm3

Melting Point：

49 °C

Boiling Point：

339.9ºC at 760mmHg

Flash Point：

122.3ºC

Refractive Index：

1.575

Water Solubility：

1.055g/L(15 ºC)

Toxicity：

MLD i.v. in rats: 15-20 mg/kg, Hirschfelder, Physiol. Rev. 12, 262 (1932)

Safety Information

Precautionary statement(s)：

P280, P302+P352, P312, P322, P363, P501

Hazard Statements：

H312

GHS Classification：

|Warning|H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]|P280, P302+P352, P312, P322, P363, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

benzoyltropeine

Computed Properties

Molecular Weight:245.32
XLogP3:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:245.141578849
Monoisotopic Mass:245.141578849
Topological Polar Surface Area:29.5
Heavy Atom Count:18
Complexity:298
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes