2-(dimethylamino)ethyl 4-(butylamino)benzoate

• ChemBase ID: 129774
• Molecular Formular: C15H24N2O2
• Molecular Mass: 264.36326
• Monoisotopic Mass: 264.18377802
• SMILES: O=C(OCCN(C)C)c1ccc(NCCCC)cc1
• Canonical SMILES: CCCCNc1ccc(cc1)C(=O)OCCN(C)C
• InChI: InChI=1S/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

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)ethyl 4-(butylamino)benzoate
• IUPAC Traditional name: tetracaine
• Synonyms: Tetracaine; Tetracaine; 4-(丁氨基)-苯甲酸-2-(二甲氨基)乙酯; 丁卡因

Database IDs

• CAS Number: 94-24-6
• EC Number: 202-316-6
• MDL Number: MFCD00053787
• PubChem SID: 24900448; 24900174; 162224062
• PubChem CID: 5411
• CHEBI ID: 9468
• ATC CODE: N01BA03; S01HA03; C05AD02; D04AB06
• CHEMBL: 698
• Chemspider ID: 5218
• KEGG ID: D00551
• Unique Ingredient Identifier: 0619F35CGV
• Wikipedia Title: Tetracaine
• Medline Plus: a682640

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.029487526
• LogD (pH = 7.4): 1.7360393
• Log P: 2.7920444
• Molar Refractivity: 80.1698 cm^3
• Polarizability: 30.304665 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22-40-42/43
• Safety Statements: 22-36/37
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H317-H351
• GHS Precautionary statements: P280-P301 + P310
• RID/ADR: UN 2811 6.1/PG 3
• Storage Temperature: 2-8°C

Pharmacology Properties

• Admin Routes: Topical, Epidural, Spinal
• Protein Bound: 75.6
• Legal Status: Rx Only

Product Information

• Purity: ≥98% (TLC)
• Suitability: meets USP testing specifications

DETAILS

Sigma Aldrich - T7383

Application
眼用局部麻醉药；用于脊髓麻醉
Biochem/physiol Actions
阻断 Ca2+ 从肌浆网的电压敏感性释放。

Sigma Aldrich - T3812

Application
眼用局部麻醉药；用于脊髓麻醉
Biochem/physiol Actions
阻断 Ca2+ 从肌浆网的电压敏感性释放。