Tetracaine hydrochloride

Iupac Name：2-(dimethylamino)ethyl 4-(butylamino)benzoate;hydrochloride

CAS No.：136-47-0

Molecular Weight：300.82

Introduction: Tetracaine hydrochloride is a local anesthetic used topically in opthalmology.

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1. Names and Identifiers

1.1 Name: Tetracaine hydrochloride
1.2 Synonyms: 4-(N-BUTYLAMINO)BENZOIC ACID 2-(DIMETHYLAMINO)ETHYL ESTER HYDROCHLORIDE 4-[BUTYLAMINO]BENZOIC ACID-2-[DIMETHYLAMINO]ETHYL ESTER HYDROCHLORIDE 4-BUTYLAMINOBENZOIC ACID DIMETHYLAMINOETHYL ESTER HCL 4-BUTYLAMINOBENZOIC ACID DIMETHYLAMINOETHYL ESTER HYDROCHLORIDE AMETHOCAINE HYDROCHLORIDE INTERCAIN HYDROCHLORIDE L AND OCAIN HYDROCHLORIDE MEETHOBALM HYDROCHLORIDE

1.3 CAS No.: 136-47-0

1.4 CID: 8695

1.5 EINECS(EC#): 205-248-5

1.6 Molecular Formula: C15H25ClN2O2 (isomer)

1.7 Inchi: InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H

1.8 InChkey: PPWHTZKZQNXVAE-UHFFFAOYSA-N

1.9 Canonical Smiles: CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.Cl

1.10 Isomers Smiles: CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C.Cl

2. 3D Conformer

3. Properties

3.1 Density: 1.1279 (rough estimate)

3.2 Melting Point: 149°C

3.3 Boiling Point: 389.4 oC at 760 mmHg

3.4 Vapour: 2.87E-06mmHg at 25°C

3.5 Refractive Index: 1.5200 (estimate)

3.6 Flash Point: 189.3 oC

3.7 Appearance: White or off white crystalline powder

3.8 Chemical Properties: White Solid

3.9 Contact Allergens: Amethocaine is a local anesthetic used in dental surgery.It was reported as an agent of contact dermatitisin dentists or dental nurses and in ophthalmologists Tetracaine hydrochlorideSupplier

3.10 Solubility: freely soluble in water, soluble in alcohol and practically insoluble in ether.

3.11 Stability: Stable at normal temperatures and pressures.

3.12 StorageTemp: Keep tightly closed.

3.13 Water solubility: Soluble in water at 50mg/ml

4. Use and Manufacturing

4.1 Usage: Tetracaine hydrochloride is a local anesthetic used topically in opthalmology.

5. Safety and Handling

5.1 Hazard Codes: T

5.1 Risk Statements: 25-36-43-42/43

5.2 Safety Statements: 26-36/37-45-36/37/39-22-53

5.3 HazardClass: 6.1

5.4 PackingGroup: III

5.5 Transport: 2811

5.6 Report: EPA Genetic Toxicology Program.

5.7 Safety: Hazard Codes:?T
Risk Statements: 25-36-42/43?
R25: Toxic if swallowed.?
R36: Irritating to eyes.?
R42/43: May cause sensitization by inhalation and skin contact.
Safety Statements: 26-45-36/37/39-22-53?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.?
S22: Do not breathe dust.?
S53: Avoid exposure - obtain special instructions before use.
RIDADR: 2811
RTECS: DG4900000
Poison by ingestion, intraperitoneal, intravenous, intraspinal, and subcutaneous routes. An eye irritant. When heated to decomposition it emits very toxic fumes of HCl and NO_x. An FDA over-the-counter drug used as a local anesthetic.

5.8 Specification: Incompatibilities
Iodides, inorganic mercury, silver salts.
Stability
Stable at normal temperatures and pressures.
Decomposition
Carbon monoxide, Carbon dioxide, Nitrogen oxides.
Combustion Products
Fire may produce irritating, corrosive and/or toxic gases.

5.9 Toxicity

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LD50	intravenous	4mg/kg (4mg/kg)	?	Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 739, 1957.
guinea pig	LD50	subcutaneous	19500ug/kg (19.5mg/kg)	?	Quarterly Journal of Pharmacy & Pharmacology. Vol. 20, Pg. 380, 1947.
mouse	LD50	intraperitoneal	23mg/kg (23mg/kg)	?	Archiv der Pharmazie Vol. 321, Pg. 115, 1988.
mouse	LD50	intravenous	6400ug/kg (6.4mg/kg)	?	Drugs in Japan Vol. -, Pg. 815, 1995.
mouse	LD50	oral	160mg/kg (160mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 413, 1975.
mouse	LD50	subcutaneous	25mg/kg (25mg/kg)	?	Pharmacology and Toxicology. English translation of FATOAO. Vol. 22, Pg. 138, 1959.
rabbit	LD50	intratracheal	4400ug/kg (4.4mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Journal of Pharmacology and Experimental Therapeutics. Vol. 132, Pg. 87, 1961.
rabbit	LD50	intravenous	2150ug/kg (2.15mg/kg)	?	Drugs in Japan Vol. 6, Pg. 490, 1982.
rabbit	LD50	subcutaneous	15mg/kg (15mg/kg)	?	Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 388, 1948.
rabbit	LDLo	intraspinal	5mg/kg (5mg/kg)	?	Journal of Pharmacology and Experimental Therapeutics. Vol. 57, Pg. 221, 1936.
rat	LD50	intraperitoneal	23500ug/kg (23.5mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 413, 1975.
rat	LD50	intravenous	4500ug/kg (4.5mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 413, 1975.
rat	LD50	subcutaneous	24mg/kg (24mg/kg)	BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Oyo Yakuri. Pharmacometrics. Vol. 9, Pg. 413, 1975.

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6. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Skin sensitization, Category 1

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H301 Toxic if swallowed H317 May cause an allergic skin reaction H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P330 Rinse mouth. P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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7. NMR Spectrum

13C NMR : in DMSO-d6

13C NMR : Predict

1H NMR : 400 MHz in DMSO-d6

1H NMR : Predict

Predict 1H proton NMR

IR : KBr disk

IR : nujol mull

Mass

8. Precursor and Product

product :

4740-24-3

108-01-0

9. Computational chemical data

Molecular Weight：300.82g/mol
Molecular Formula：C₁₅H₂₅ClN₂O₂
Compound Is Canonicalized：True
Exact Mass：300.16
Monoisotopic Mass：300.16
Complexity：249
Rotatable Bond Count：9
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：41.6A^2
Heavy Atom Count：20
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：2
CACTVS Substructure Key Fingerprint： AAADceBzMAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADAjhmAYyyIPABACI AiTSSACCAAAlAgAIiIEIbMgKJjLAtZmHMQhk0AHY6YeY2SOeCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==

10. Question & Answer

Medical uses of Tetracaine hydrochloride Apr 14 2021
Tetracaine hydrochloride, also known as amethocaine hydrochloride, is a local anesthetic used to numb the eyes, nose, or throat.It may also be used before starting an intravenous to decrease pain from the procedure.Typically it is applied as a liquid to the area. Tetracaine hydrochloride was patent...
Tetracaine hydrochloride – a local anesthetic widely used in clinic Aug 31 2020
Tetracaine hydrochloride is a sterile aqueous topical anesthetic ophthalmic solution. The molecular formula is C15H24N2O2•HCl. and the molecular weight is 300.82. The melting point is 147-150 ℃. The active ingredient is represented by the chemical structure: Tetracaine hydrochloride is a loca...

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Local Anesthetics Tetracaine hcl Powder Tetracaine Hydrochloride CAS 136-47-0

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Tetracaine Hydrochloride