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盐酸沙格雷酯 | 135159-51-2

盐酸沙格雷酯
Sarpogrelate hydrochloride
135159-51-2
C24H32ClNO6
465.9670
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:盐酸沙格雷酯结构式
444005
盐酸沙格雷酯价格
简介
Sarpogrelate hydrochloride (MCI-9042) 是一种选择性的 5-HT2R 拮抗剂,对 5-HT2A,5-HT2B,和 5-HT2C 受体的 pKi 值分别为 8.52、6.57 和 7.43。Sarpogrelate hydrochloride 对 5-HT1,5-HT3,5-HT4,α1-,α2- 和 β-肾上腺素受体,组胺 H1,H2 以及毒蕈碱 M3 受体缺乏显著的拮抗活性。Sarpogrelate hydrochloride 可用于研究与血栓形成有关的血管疾病。
名称和标识符
MDL MFCD00887582
InChIKey POQBIDFFYCYHOB-UHFFFAOYSA-N
Inchi 1S/C24H31NO6.ClH/c1-25(2)16-21(31-24(28)14-13-23(26)27)17-30-22-10-5-4-8-19(22)12-11-18-7-6-9-20(15-18)29-3;/h4-10,15,21H,11-14,16-17H2,1-3H3,(H,26,27);1H
SMILES Cl[H].O(C1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C([H])([H])C1C([H])=C([H])C([H])=C(C=1[H])OC([H])([H])[H])C([H])([H])C([H])(C([H])([H])N(C([H])([H])[H])C([H])([H])[H])OC(C([H])([H])C([H])([H])C(=O)O[H])=O
别名信息
- 中文别名 -
  • 盐酸沙格雷酯
  • (+/-)-2-(二甲胺基)-1-{[2-(3-甲氧基苯基)苯氧基]甲基}乙基丁二酸单酯盐酸盐
  • 硫化蓝15
  • 沙格雷酯-D3盐酸
  • 盐酸沙格雷酯标准品(JP)
  • 盐酸沙格雷酯杂质
  • 沙格雷酯盐酸盐
- 英文别名 -
  • SARPOGRELATE HYDROCHLORIDE
  • (+/-)-2-(dimethylamino)-1-{[o-(m-methoxyphenethyl)phenoxy]methyl}ethyl hydrogen succinate hydrochloride
  • SARPOGRELATE HCL
  • Sarpogrelate Hydrochloride intermediate
  • Sarpogrelate Hydroch
  • 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid,hydrochloride
  • MCI 9042
  • MCI-9042
  • Anplag
  • Sarpogrelate (hydrochloride)
  • Sarpogrelate hydrochloride [JAN]
  • DSSTox_RID_81804
  • C24H32ClNO6
  • DSSTox_GSID_46662
  • Butanedioic acid, esters, mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl) ester, hydrochloride, (+-)-
  • DSSTox_CID_26662
  • Butanedioic acid 1-[2-(dimethylamino)-1-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]ethyl] ester hydrochloride
  • 4-[1-(di
  • Sarpogrelate hydrochloride
  • FQN8N8QP1B
  • Sarpogrelate hydrochloride (JP17)
  • Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl) ester, hydrochloride, (+-)-
  • (+/-)-SARPOGRELATE HYDROCHLORIDE
  • NCGC00167489-03
  • CHEMBL541829
  • Sarpogrelate hydrochloride- Bio-X
  • FT-0602637
  • BCP07360
  • D01624
  • 4-(1-(dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-yloxy)-4-oxobutanoic acid hydrochloride
  • A806893
  • 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxidanylidene-butanoic acid hydrochloride
  • DTXSID8046662
  • Succinic acid mono-(1-dimethylaminomethyl-2-(2-[2-(3-methoxyphenyl)ethyl]phenoxy)ethyl) ester hydrochloride
  • Anplag (TN)
  • Tox21_112490
  • Butanedioic acid, mono(2-(dimethylamino)-1-((2-(2-(3-methoxyphenyl)ethyl)phenoxy)methyl)ethyl) ester, hydrochloride
  • AMY8866
  • CCG-269415
  • BUTANEDIOIC ACID, 1-(2-(DIMETHYLAMINO)-1-((2-(2-(3-METHOXYPHENYL)ETHYL)PHENOXY)METHYL)ETHYL) ESTER, HYDROCHLORIDE (1:1)
  • HY-10564
  • NCGC00167489-01
  • KS-5244
  • Q27278133
  • Sarpogrelate HCl
  • Sarpogrelatehydrochloride
  • 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid hydrochloride
  • Succinic acid mono-(1-dimethylaminomethyl-2-(2-[2-(3-methoxyphenyl)et hyl]phenoxy)ethyl) ester hydrochloride
  • SARPOGRELATE HYDROCHLORIDE, (+/-)-
  • 135159-51-2
  • Mci 9042
  • J-006654
  • sarpogrelate hydrochloride
  • 4-[1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-yl]oxy-4-oxobutanoic acid
  • hydrochloride
  • Tox21_112490_1
  • MFCD00887582
  • DTXCID6026662
  • AKOS015889582
  • CAS-135159-51-2
  • 4-{[1-(dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}propan-2-yl]oxy}-4-oxobutanoic acid hydrochloride
  • LS-187118
  • UNII-FQN8N8QP1B
  • s3706
  • Sarpogrelate hydrochloride, >=98% (HPLC)
  • 4-((1-(dimethylamino)-3-(2-(3-methoxyphenethyl)phenoxy)propan-2-yl)oxy)-4-oxobutanoic acid HCl
  • SARPOGRELATE HYDROCHLORIDE [WHO-DD]
  • SCHEMBL120568
  • BS164394
  • AC-1598
  • BUTANEDIOIC ACID, MONO(2-(DIMETHYLAMINO)-1-((2-(2-(3-METHOXYPHENYL)ETHYL)PHENOXY)METHYL)ETHYL) ESTER, HYDROCHLORIDE, (+/-)-
  • CHEBI:32122
物化性质
实验特性
LogP 3.99940
PSA 85.30000
沸点 585.9 °C at 760 mmHg
熔点 158-161°C
蒸气压 No data available
闪点 308.1 °C
溶解度 deionized water: ≥5mg/mL
颜色与性状 No data available
溶解性 deionized water: ≥5mg/mL
计算特性
精确分子量 465.19200
氢键供体数量 2
氢键受体数量 7
可旋转化学键数量 14
同位素质量 465.192
重原子数量 32
复杂度 540
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 1
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 2
拓扑分子极性表面积 85.3
专业数据库参考
PubChemId 444005
参考资料
Beilstein MFCD00887582
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