(2S)-2-[[2-(2,3-dichlorophenoxy)-1-oxoethyl]amino]-N-[(3S)-1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methylpentanamide structure

3D Mol Similar

(2S)-2-[[2-(2,3-dichlorophenoxy)-1-oxoethyl]amino]-N-[(3S)-1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methylpentanamide

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

CAS No.: 136-47-0

Molecular Weight：300.82

Modify Date.: 2022-03-07 13:30

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1. Names and Identifiers

1.1 Name: (2S)-2-[[2-(2,3-dichlorophenoxy)-1-oxoethyl]amino]-N-[(3S)-1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methylpentanamide

2. Properties

3.1 Melting point: 149°C

3.1 Refractive index: 1.5200 (estimate)

3.1 Vapour pressure: 2.87E-06mmHg at 25°C

3.1 Precise Quality: 300.16000

3.1 PSA: 41.57000

3.1 logP: 3.49200

3. Safety and Handling

4.1 Symbol: GHS06

4.1 Signal Word: Danger

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

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

4.1 Packing Group: III

4.1 Hazard Class: 6.1

4.1 Hazard Declaration: H301-H317-H319

4.1 RIDADR: 2811

4.1 Caution Statement: P280-P301 + P310-P305 + P351 + P338

4.1 WGK Germany: 3

4.1 RTECS: DG4900000

4. 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

View all

5. Computational chemical data

Molecular Weight: 300.82g/mol
Molecular Formula: C_₂₀H_₂₅NOS
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 300.1604557
Monoisotopic Mass: 300.1604557
Complexity: 249
Rotatable Bond Count: 9
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 41.6
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: AAADceBzMAAEAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADAjhmAYyyIPABACIAiTSSACCAAAlAgAIiIEIbMgKJjLAtZmHMQhk0AHY6YeY2SOeCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

6. 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...

8. Realated Product Infomation

149043-46-9 (2S)-2-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-N-[(3S)-1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methylpentanamide

149043-39-0 (2S)-2-[(2-cyclohexyloxy-1-oxoethyl)amino]-N-[(3S)-1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methylpentanamide

149043-40-3 (2S)-2-[[2-(2-fluorophenoxy)-1-oxoethyl]amino]-N-[(3S)-1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methylpentanamide

149043-44-7 (2S)-2-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-N-[(3S)-1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methylpentanamide

149043-43-6 (2S)-2-[[2-(2-chlorophenoxy)-1-oxoethyl]amino]-N-[(3S)-1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methylpentanamide

149043-42-5 (2S)-2-[[2-(4-fluorophenoxy)-1-oxoethyl]amino]-N-[(3S)-1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methylpentanamide

149043-35-6 (2S)-2-[[2-(4-fluorophenyl)-1-oxoethyl]amino]-N-[(3S)-1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methylpentanamide

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