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Chemical Product CAS:94-24-6Tetracaine

CAS:94-24-6
Tetracaine

  • CAS No:

    94-24-6
  • Name:

    Tetracaine
  • Molecular Formula:

    C15H24N2O2
  • Molecular Weight:

    264.37
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Tetracaine ( CASNO:94-24-6 )

Identification and Related Records
Name:
Tetracaine
CAS Registry number:
94-24-6
Iupac name:
2-(dimethylamino)ethyl 4-(butylamino)benzoate
Synonyms:
Benzoicacid, p-(butylamino)-, 2-(dimethylamino)ethyl ester (8CI)
2-Dimethylaminoethylp-butylaminobenzoate
Amethocaine
Ametop
Anetain
Butylocaine
Contralgin
Fissucain
Intercain
Laudocaine
Medicaine
Medihaler-Tetracaine
Meethobalm
Metraspray
Mucaesthin
Pontocaine
Rexocaine
Uromucaesthin
b-Dimethylaminoethylp-N-butylaminobenzoate
b-Dimethylaminoethyl p-butylaminobenzoate
EINECS(EC#):
202-316-6
Molecular Formula:
C15H24N2O2
Molecular Weight:
264.37
Inchi:
InChI=1/C15H24N2O2/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
InChIKey:
GKCBAIGFKIBETG-UHFFFAOYSA-N
Canonical SMILES:
CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)C
Chemical and Physical Properties
Appearance:
White crystalline powder
Density:
1.044 g/cm3
Boiling Point:
389.4 °C at 760 mmHg
Refractive Index:
1.537
Flash Point:
189.3°C
Storage temp:
2-8°C
Computed Properties:
Molecular Weight:264.36326 [g/mol]
Molecular Formula:C15H24N2O2
XLogP3:3.7
H-Bond Donor:1
H-Bond Acceptor:4
Rotatable Bond Count:9
Tautomer Count:3
Exact Mass:264.183778
MonoIsotopic Mass:264.183778
Topological Polar Surface Area:41.6
Heavy Atom Count:19
Formal Charge:0
Complexity:249
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Cation Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:9
Conformer Sampling RMSD:0.8
CID Conformer Count:230
Safety and Handling
Hazard Codes:
Xn:Harmful;
Risk Statements:
R22;R40;R42/43
Safety Statements:
S22;S36/37
Safety:
A human poison by parenteral route with systemic effects including: muscle contractions, coma, and cyanosis. A poison experimentally by intravenous, parenteral, intratracheal, intraperitoneal, and subcutaneous routes. Human mutation data reported. A local anesthetic. See also ESTERS. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes:Xn,Xi
Xi:Irritant
Xn:Harmful
Risk Statements
R22:Harmful if swallowed.
R40:Limited evidence of a carcinogenic effect.
R42/43:May cause sensitization by inhalation and skin contact .
R43:May cause sensitization by skin contact.
Safety Statements
S22:Do not breathe dust .
S36/37:Wear suitable protective clothing and gloves .
RIDADR:UN 2811
RTECS:DG4725000  
Transport:
UN 2811
Specification:
 Tetracaine , its CAS NO. is 94-24-6, the synonyms are 2-(Dimethylamino)ethyl p-(butylamino)benzoate ; 2-Dimethylaminoethylester kyseliny p-butylaminobenzoove ; 2-Dimethylaminoethylesterkyselinyp-butylaminobenzoove ; 2-Dimethylaminoethylp-butylaminobenzoate ; 4-(Butylamino)-benzoicaci2-(dimethylamino)ethylester ; Amethocaine ; Anetain ; 2-(Dimethylamino)ethyl 4-(butylamino)benzoate . 
Biomedical Effects and Toxicity
Pharmacological Action:
- 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.
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