エプロサルタンメシル酸塩

Eprosartan Mesylate

HCID 5282474CAS 144143-96-4

部分構造検索類似構造を探す

基本情報

標準SMILES: CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1.CS(=O)(=O)O
InChIKey: DJSLTDBPKHORNY-XMMWENQYSA-N
分子式: C24H28N2O7S2
平均分子量: 520.6 g/mol
単同位体質量: 520.13379358

名称と識別子

優先名称: Eprosartan Mesylate
IUPAC: 4-[[2-butyl-5-[(E)-2-carboxy-3-thiophen-2-ylprop-1-enyl]imidazol-1-yl]methyl]benzoic acid;methanesulfonic acid
現地名: エプロサルタンメシル酸塩
英語名: Eprosartan mesylate
分子式: C24H28N2O7S2
分子量: 520.62

名称と別名

EPROSARTAN MESYLATETevetenEprosartan mesilateeprosartan methanesulfonateEprosartan MonomethanesulfonateSK&F 108566-JDTXSID7044217UNII-8N2L1NX8S3SK&F-108566-J8N2L1NX8S3DTXCID5024217CHEBI:48409

名称をさらに表示

エプロサルタンメシル酸塩エプロサルタンメタンスルホン酸塩メシル酸エプロサルタンEprosartan MyslateEposartan mesylateMonomethanesulfonateEprosartanMesylate>Eprosartan mesylate, >=99%Eprosartan mesylate USP/EP/BPSunitinib and its interMediate

(E)-2-Butyl-1-(p-carboxybenzyl)-alpha-2-thenylimidazole-5-acrylic acid, monomethanesulfonateTEVETEN HCT COMPONENT EPROSARTAN MESYLATE2-Thiophenepropanoic acid, alpha-((2-butyl-1-((4-carboxyphenyl)methyl)-1H-imidazol-5-yl)methylene)-, (E)-, monomethanesulfonateEPROSARTAN MESILATE (MART.)EPROSARTAN MESILATE [MART.]EPROSARTAN MESYLATE (USP-RS)EPROSARTAN MESYLATE [USP-RS](E)-alpha-((2-butyl-1-((4-carboxyphenyl)methyl)-1H-imidazol-5-yl)methylene)-2-thiophenepropanoic acid monomethanesulfonate

データベース識別子

CAS: 144143-96-4
PubChem CID: 5282474
DTXSID: DTXSID7044217
ChEMBL: CHEMBL1200987
ChEBI: CHEBI:48409
UNII: 8N2L1NX8S3

物性

構造計算による物性

極性表面積: 183 Å²
水素結合供与体数: 3
水素結合受容体数: 9
回転可能結合数: 10
重原子数: 35
形式電荷: 0
複雑度: 711

物理化学的性質

融点: 248 · 248-250°
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 10 mg/mL · DMSO：>10mg/mL
外見: 粉
色: ホワイトからオフホワイト
Merck: 14 · 14,3635
主な用途: 医薬品（低分子化合物）
InChIKey: DJSLTDBPKHORNY-XMMWENQYSA-N
SMILES: S(O)(=O)(=O)C.C(C1C=CC(C(=O)O)=CC=1)N1C(=NC=C1/C=C(/C(=O)O)\CC1SC=CC=1)CCCC
CAS データベース: 144143 · 144143-96-4(CAS DataBase Reference)

化学的性質

化学的特性White to Off-White Solid

安全と法規制

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Eprosartan mesylate

Ambiguous-DILI-concern

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation · 1 件

◉ Summary of Use during Lactation；Eprosartan is no longer marketed in the US. Because no information is available on the use of eprosartan during breastfeeding, an alternate drug may be preferred, especially while nursing a newborn or preterm infant.；◉ Effects in Breastfed Infants；Relevant published information was not found as of the revision date.；◉ Effects on Lactation and Breastmilk；Relevant published information was not found as of the revision date.