란소프라졸

란소프라졸 · Lansoprazol · PREVACID · LANSAPRAZOLE · LANSOPRAZOLE, MM(CRM STANDARD) · 2-[3-METHYL-4-(2,2,2-TRIFLUORO-ETHOXY)-PYRIDIN-2-YLMETHANESULFINYL]-1H-BENZOIMIDAZOLE · 2-(((3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)sulfinyl)-1H-benzo[d]imidazole · LANSOPRAZOLE, RELATED COMPOUND A2-[[[3-METHYL-4-(2,2,2-TRIFLOUROETHOXY)-2-PYRIDYL]METHYL]SULFONYL]BENZIMIDAZOLE USP STANDARD

https://huagongshe.com/ko/chemical/3883

식별자 및 물리적 특성

CAS No.	103577-45-3
분자식	C16H14F3N3O2S
평균 분자량	369.368 g/mol
단동위원소 질량	369.07588235 g/mol
SMILES	Cc1c(OCC(F)(F)F)ccnc1CS(=O)c1nc2ccccc2[nH]1
InChIKey	MJIHNNLFOKEZEW-UHFFFAOYSA-N
PubChem CID	3883
ChEMBL	CHEMBL480
ChEBI	CHEBI:6375
EC No.	627-144-2
DTXSID	DTXSID4023200
현지명	란소프라졸

화학 및 물리적 성질

XLogP	2.8
극성 표면적	87.1
수소 결합 공여자 수	1
수소 결합 수용자 수	8
회전 가능 결합 수	5
무거운 원자 수	25
형식 전하	0
복잡도	480
냄새	Odorless
Color/Form	White to brownish-white crystalline powder
용해도	0.97Freely soluble in dimethylformamidesoluble in ethyl acetate, dichloromethane and acetonitrilevery slightly soluble in ether, and practically insoluble in hexane and water.>55.4 [ug/mL] (The mean of the results at pH 7.4)물에 거의 녹지 않으며, 무수 에탄올에 녹고, 아세토니트릴에는 아주 약간 녹습니다.
녹는점	178-182 °C178 to 182 °C (decomposes)MP: approx 166 °C with decomposition. Stable when exposed to light for up to two months. The compound degrades in aqueous solution, the rate of degradation increasing with decreasing pH. At 25 °C the half-lives are approx 0.5 and 18 hrs at pH 5.0 and pH 7.0, respectively.178 - 182 °C178-182°C dec.
Physical Description	Solid
Dissociation Constants	pKa1 = 1.1pKa2 = 6.9pKa3 = 12 /Estimated/
Collision Cross Section	185.8 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]165.37 Å² [M+H-H2O]+ [CCS Type: TW177.38 Å² [M+H]+ [CCS Type: TW187.78 Å² [M+Na]+ [CCS Type: TW
끓는 점	555.8±60.0 °C(Predicted)
밀도	1.50±0.1 g/cm3(Predicted)
저장 조건	2-8°C
pKa(산도 계수)	pKa 2.34±0.37 (Occasionally)3.53±0.37 (Occasionally)8.48±0.30 (Occasionally)
물리적 상태	가루
색상	회백색
Merck	14,5362
BCS Class	2
InChI	InChI=1S/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
InChIKey	MJIHNNLFOKEZEW-UHFFFAOYSA-N
SMILES	C1(S(CC2=NC=CC(OCC(F)(F)F)=C2C)=O)NC2=CC=CC=C2N=1

화학적 성질

White Crystalline Powder

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 0.7% (1 of 136) of reports.WarningH315 (96.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (96.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 136 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 136 reports by companies.There are 16 notifications provided by 135 of 136 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Lansoprazole: Does not have an individual approval but may be used under an appropriate group standard
FDA 요건	The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl lansoprazole, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act.
Hazard Classes and Categories	Skin Irrit. 2 (96.3%)Eye Irrit. 2 (96.3%)STOT SE 3 (95.6%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%)
처리 방법	SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality

용도

개요

Lansoprazole is the second proton pump inhibitor approved as an antiulcer agent for the short term treatment of duodenal ulcer and gastroesophageal reflux disease. Like omeprazole, lansoprazole is reported to be more efficacious than the H2-antagonists in treating peptic ulcer disease.Other potential uses could be in the treatment of Zollinger-Ellison syndrome.

용도

Used as a gastric proton pump inhibitor. An antiulcerative

일반 설명

Lansoprazole, 2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazole(Prevacid), is a white to brownish white, odorless crystallinepowder that is practically insoluble in water.Lansoprazole is a weak base (pyridine N, pKa 3.83.) and aweak acid (benzimidazole N-H, pK 0.62). Like other PPIs,lansoprazole is essentially a prodrug that, in the acidic biophaseof the parietal cell, forms an active metabolite thatirreversibly interacts with the target ATPase of the pump.Lansoprazole must be formulated as encapsulated entericcoatedgranules for oral administration to protect the drugfrom the acidic environment of the stomach.In the fasting state, about 80% of a dose of lansoprazole(vs. 50% of omeprazole) reaches the systemic circulation,where it is 97% bound to plasma proteins. Thedrug is metabolized in the liver (sulfone and hydroxymetabolites) and excreted in bile and urine, with a plasmahalf-life of about 1.5 hours.