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테트라카인하이드로클로라이드

Tetracaine Hydrochloride

HCID 8695
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
136-47-0
표준 SMILES
CCCCNc1ccc(C(=O)OCCN(C)C)cc1.Cl
InChIKey
PPWHTZKZQNXVAE-UHFFFAOYSA-N
분자식
C15H25ClN2O2
평균 분자량
300.82 g/mol
단동위원소 질량
300.1604557

개요

Tetracaine hydrochloride is a benzoate ester.

이름 및 식별자

우선 이름
Tetracaine Hydrochloride
IUPAC
2-(dimethylamino)ethyl 4-(butylamino)benzoate;hydrochloride
현지명
테트라카인하이드로클로라이드
영어명
Tetracaine hydrochloride
분자식
C15H25ClN2O2
분자량
300.82

이름 및 동의어

Tetracaine hydrochloride136-47-0Tetracaine HClButethanolCurtacainMenonasalPantocaineAnethaineDicainumAmethocaine hydrochlorideTetocaineTetraca
이름 더 보기
테트라카인하이드로클로라이드테트라카인염산염DimethylaminoethylTetracaine hydrochloridanaceltonexoldecicaindecicaine
DTXSID60424485NF5D4OPCINSC-757337Pontocaine HydrochlorideTetracaini hydrochloridumBenzoic acid, 4-(butylamino)-, 2-(dimethylamino)ethyl ester, monohydrochlorideDTXCID4022448KOVANAZE COMPONENT TETRACAINE HYDROCHLORIDE

데이터베이스 식별자

CAS
136-47-0、53762-93-9
PubChem CID
8695
DTXSID
DTXSID6042448
ChEMBL
CHEMBL1255654
ChEBI
CHEBI:9469
UNII
5NF5D4OPCI
EC Number
205-248-5

물성

구조 계산 물성

극성 표면적
41.6 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
9
무거운 원자 수
20
형식 전하
0
복잡도
249

실험 및 물리화학적 성질

Solubility>45.1 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs · 2건

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Animal DrugsFDA approved animal drugs -> Active ingredient
Collision Cross Section172.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
149 °C · 149°C
밀도
1.1279 · 1.1279 (rough estimate)
굴절률
1.52 · 1.5200 (estimate)
저장 조건
2 · 2-8°C
용해도
40 · 알코올: 용매 40부에 용해됨
산도 계수 (pKa)
8.39 · 8.39(at 25℃)
물리적 상태
Solid
색상
흰색에서 거의 흰색
수용성
50 mg/ml의 · 50mg/ml의 물에 용해됨
Merck
14 · 14,9188
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

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H301 (98.2%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 113 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationTetracaine hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzoic acid, 4-(butylamino)-, 2-(dimethylamino)ethyl ester, monohydrochloride: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (98.2%)

안전 데이터

wgk
3
rtecs
DG4900000
ridadr
2811
독성
LD50 i.p. in mice: 70 mg/kg (Dawes); also reported as LD50 in female mice (mg/kg): 13 i.v.; 35 s.c. (Bopp)
HS 번호
29224999
risk_code
25-36-43-42/43
hazard_code
T
safety_code
26-36/37-45-36/37/39-22-53
포장분류
III
위험 등급
6.1
Hazard Classifications
Acute Tox. 3 OralEye Irrit. 2STOT SE 3

화학 및 산업

약리 정보

FDA Pharmacological Classification · 4건

TETRACAINE HCL

Ester Local Anesthetic [EPC]; Esters [CS]; Local Anesthesia [PE]

TETRACAINE HYDROCHLORIDE

Local Anesthesia [PE]; Esters [CS]; Ester Local Anesthetic [EPC]

MeSH Pharmacological Classification · 1건

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.

응용 분야 · 2건

용도Tetracaine hydrochloride is a local anesthetic used topically in opthalmology.It is a highly effective local anesthetic that reversibly blocks nerve function. It is clinically used for infiltration anesthesia, nerve block anesthesia, epidural anesthesia, etc. Compared with procaine, its local anesthesia effect is remarkable. Tetracaine hydrochloride has been widely used in clinical practice.

일반 설명Tetracaine hydrochloride is a local anesthetic drug and an ester derivative of p-amino benzoic acid. It acts by interfering with the entry of sodium ions into nerve cells and is one of the commonly used topical anesthetics.

제조 방법 · 1건

Synthesis of tetracaine hydrochloride using 4-Methyl-2-pentanone as starting material: To the reaction kettle, first add 320.0kg of methyl isobutyl ketone, then add 40.0kg (207mol) of 4-Butylaminobenzoic acid and 56.8kg of anhydrous potassium carbonate in turn, heat the oil bath to 116°C for reflux reaction for 4h, stop heating, and react for a while. Cool for 0.5h, then add 38.3kg (266mol) of 2-Dimethylaminoethyl Chloride Hydrochloride, continue to heat to 116°C for reflux reaction for 4h, and cool to below 30°C after the reaction is complete, then add deionized water 127.0 kg stirred for 30min, left standing for 1h, separated the organic layer, dried and concentrated to obtain an oily substance, then added 169.0kg of acetone and stirred, adjusted the pH value with concentrated hydrochloric acid to 3-4, and precipitated a large number of crystals, which continued to crystallize for 12h after freezing. , centrifugal filtration and drying to obtain 53.0kg of white solid which is tetracaine hydrochloride, the yield is 85.07%, and the HPLC purity is 99.34%.

관련 반응

2건
반응 기록 만들기
HRID 1378501 반응식
HRID 1378501반응물로uspto-grants-1997_09
HRID 2424240 반응식
HRID 2424240반응물로uspto-grants-2011_06

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
InChIKey
PPWHTZKZQNXVAE-UHFFFAOYSA-N
SMILES
C1(C=CC(NCCCC)=CC=1)C(=O)OCCN(C)C.Cl
LogP
3.649 · 3.649 (est)
EPA
Tetracaine hydrochloride (136-47-0)
화학적 성질 · 1건

Tetracaine hydrochloride is a white, crystalline powder, odourless; hygroscopic; it has a slightly bitter taste and causes local numbness after being placed on the tongue. Soluble in water, soluble in ethanol (~750 g/l), practically insoluble in ether. even in the absence of light, it is gradually degraded on exposure to a humid atmosphere, the decomposition being faster at higher temperatures.

스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

상·하류 제품 정보

상류 원료

Sodium 4-aminobenzoate pentahydrate염산브롬화부틸

공급사100 곳

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추가 설명

정의ChEBI: Tetracaine hydrochloride is a benzoate ester. It is a potent local anesthetic of the ester type used for surface and spinal anesthesia.