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(±)-Homatropine

(±)-Homatropine structure

CAS No:
87-00-3
Formula:
C16H21NO3
Chemical Name:
(±)-Homatropine
Synonyms:
Benzeneacetic acid,α-hydroxy-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester;1αH,5αH-Tropan-3α-ol,(±)-mandelate (ester);Benzeneacetic acid,α-hydroxy-,8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester,endo-(±)-;Homatropin;Homatropine;(±)-Mandelyltropine;Tropine (±)-mandelate (ester);(±)-Mandelic acid 1αH,5αH-tropan-3α-yl ester;Homoatropine;(±)-Homatropine;Benzeneacetic acid,α-hydroxy-,8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester,endo-;Mandelyltropeine;Tropine mandelate;104441-60-3;16175-83-0
Categories:
Active Pharmaceutical Ingredients > Nervous System Drugs

Description

White crystals.Slightly soluble in water.

Atropine is a natural alkaloid anticholinergic agent that has potent antimuscarinic effects and is used by injection to treat symptomatic bradycardia, severe bronchospasm and to reduce vagal stimulation. Atropine has not been implicated in causing liver enzyme elevations or clinically apparent acute liver injury.

(±)-Homatropine Basic Attributes

Molecular Weight：

275.34

Exact Mass：

275.34

EC Number：

201-716-8

NSC Number：

60600

DSSTox ID：

DTXSID6044014

ATC Code：

S - Sensory organs

HScode：

2933990090

Characteristics

PSA：

49.8

XLogP3：

1.82630

Density：

1.21 g/cm3

Melting Point：

99.5 °C

Boiling Point：

403.3ºC

Flash Point：

197.7ºC

Water Solubility：

soluble as hydrobromide

Toxicity

Hepatotoxicity：

Despite widespread use over many decades, atropine has not been linked convincingly to episodes of liver enzyme elevations or clinically apparent liver injury. Atropine is metabolized by the liver, but is usually given in low doses (

Drug Information

LiverTox Summary：

Drug Classes：

Anticholinergic Agents

MeSH：

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)

MeSH Entry Terms：

AK-Homatropine

(±)-Homatropine Use and Manufacturing

Anticholinergic (ophthalmic).

Computed Properties

Molecular Weight:275.34
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:275.15214353
Monoisotopic Mass:275.15214353
Topological Polar Surface Area:49.8
Heavy Atom Count:20
Complexity:340
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes