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Butacaine

Butacaine structure

CAS No:
149-16-6
Formula:
C18H30N2O2
Chemical Name:
Butacaine
Synonyms:
1-Propanol,3-(dibutylamino)-,1-(4-aminobenzoate);Butacaine;1-Propanol,3-(dibutylamino)-,p-aminobenzoate (ester);1-Propanol,3-(dibutylamino)-,4-aminobenzoate (ester);1-Propanol,3-(dibutylamino)-,p-aminobenzoate;3-(p-Aminobenzoxy)-1-di-n-butylaminopropane;Butyn;3-(Dibutylamino)-1-propanol p-aminobenzoate;3-Dibutylaminopropyl p-aminobenzoate;Butelline
Categories:
Analytical Chemistry > Standard

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Description

Butacaine is a local anesthetic.

4-aminobenzoic acid 3-(dibutylamino)propyl ester is a benzoate ester.

Butacaine Basic Attributes

Molecular Weight：

306.44

Exact Mass：

306.44

EC Number：

205-734-7

UNII：

Z84S23CGJJ

NSC Number：

758632

DSSTox ID：

DTXSID3045300

HScode：

2922499990

Characteristics

PSA：

55.6

XLogP3：

4.29910

Density：

1.0593 (rough estimate)

Melting Point：

<25 °C

Boiling Point：

180 °C

Flash Point：

219.9ºC

Refractive Index：

1.5700 (estimate)

Water Solubility：

>46 [ug/mL]

Storage Conditions：

−20°C

Vapor Pressure：

6.1E-08mmHg at 25°C

Toxicity：

Subcutaneous-rat LDL0: 150 mg/kg; subcutaneous-mouse LDL0: 100 mg/kg

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide gas

Collision Cross Section：

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

Safety Information

Packing level：

III

Hazard category：

6.1(b)

Transport codes：

3249

wgk germany：

RTECS Number：

UB0875000

Storage features：

Treasury is ventilated, low temperature and dry; stored separately from food materials

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH：

Drugs that block nerve conduction when applied locally to nerve tissue in appropriate concentrations. They act on any part of the nervous system and on every type of nerve fiber. In contact with a nerve trunk, these anesthetics can cause both sensory and motor paralysis in the innervated area. Their action is completely reversible. (From Gilman AG, et. al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed) Nearly all local anesthetics act by reducing the tendency of voltage-dependent sodium channels to activate. (See all compounds classified as Anesthetics, Local.)

MeSH Entry Terms：

3-(dibutylamino)propyl 4-aminobenzoate

Butacaine Use and Manufacturing

Uses

radioopaque agent

Use Classification：

Pharmaceuticals

Computed Properties

Molecular Weight:306.4
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:12
Exact Mass:306.230728204
Monoisotopic Mass:306.230728204
Topological Polar Surface Area:55.6
Heavy Atom Count:22
Complexity:281
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes