1629229-37-3 (Fezolinetant,Fezolinetant)

CAS号:
1629229-37-3
中文名称:
Fezolinetant
英文名称:
Fezolinetant
分子式:
C16H15FN6OS
分子量:
358.393304109573
简介:
Fezolinetant 是一种神经激肽-3 受体 (neurokinin 3 receptor) 拮抗剂,可用于更年期潮热的研究。

Fezolinetant(1629229-37-3)名称与标识符

名称

中文别名:
非唑奈坦;
英文别名:
Fezolinetant;83VNE45KXX;ESN364;(R)-(4-fluorophenyl)(8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone;Fezolinetant [USAN];GTPL10422;BDBM50112244;WHO 10205;compound 3 [PMID:26191358];SB19658;Q27269455;(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;Methanone, ((8R)-5,6-;GLXC-27430;AKOS040741724;MS-25636;FEZOLINETANT [WHO-DD];A2693;ES-256364;1629229-37-3;UNII-83VNE45KXX;ESN 364;CHEBI:229236;AS-3472693-00;EX-A6226;D87169;CS-7952;FEZOLINETANT [INN];Methanone, ((8R)-5,6-dihydro-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1,2,4-triazolo(4,3-a)pyrazin-7(8H)-yl)(4-fluorophenyl)-;A-2693;DA-63422;(4-FLUOROPHENYL)((8R)-5,6-DIHYDRO-8-METHYL-3-(3-METHYL-1,2,4-THIADIAZOL-5-YL)-(1,2,4)TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)METHANONE;VEOZAH;(4-fluorophenyl)[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methanone;Fezolinetant?;(4-FLUOROPHENYL)((8R)-8-METHYL-3-(3-METHYL-1,2,4-THIADIAZOL-5-YL)-5,6-DIHYDRO-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)METHANONE;(4-FLUOROPHENYL)((8R)-8-METHYL-3-(3-METHYL-1,2,4- THIADIAZOL-5-YL)-5,6-DIHYDRO-1,2,4-TRIAZOLO(4,3-A)PYRAZIN- 7(8H)-YL)METHANONE;AC-36697;((8R)-5,6-DIHYDRO-8-METHYL-3-(3-METHYL-1,2,4-THIADIAZOL-5-YL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)(4-FLUOROPHENYL)METHANONE;HY-19632;compound 3 (PMID:26191358);ESN-364;CHEMBL3608680;?ESN-364?;Vezoa;fezolinetantum;SCHEMBL16114810;DTXSID601103615;AS3472693-00;Veoza;

标识符

InChIKey:
PPSNFPASKFYPMN-SECBINFHSA-N
Inchi:
1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
SMILES:
S1C(C2=NN=C3[C@@H](C)N(C(C4C=CC(=CC=4)F)=O)CCN32)=NC(C)=N1

Fezolinetant(1629229-37-3)物化性质

计算特性

  • 精确分子量 : 358.10120846 g/mol
  • 氢键供体数量 : 0
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 2
  • 同位素质量 : 358.10120846 g/mol
  • 重原子数量 : 25
  • 复杂度 : 505
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 1
  • 不确定原子立构中心数量 : 0
  • 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 : 1
  • 疏水参数计算参考值(XlogP) : 1.6
  • 拓扑分子极性表面积 : 105
  • 分子量 : 358.4

Fezolinetant(1629229-37-3)安全信息

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