694495-47-1 (S-盐酸西那卡塞,Ent-Cinacalcet Hydrochloride)

CAS号:
694495-47-1
中文名称:
S-盐酸西那卡塞
英文名称:
Ent-Cinacalcet Hydrochloride
分子式:
C22H23ClF3N
分子量:
393.872935533524

S-盐酸西那卡塞(694495-47-1)名称与标识符

名称

中文别名:
(S)-Cinacalcet盐酸(ENT-西那卡塞盐酸);(S)-n-(1-(萘-1-基)乙基)-3-(3-(三氟甲基)苯基)丙烷-1-胺;S-西那卡塞;S-盐酸西那卡塞;
英文别名:
ent-Cinacalcet Hydrochloride;(S)-N-(1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine;N-[(1S)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine,hydrochloride;(S)-N-(1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine hydrochloride;(S)-N-(1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoroMethyl)phenyl)propan-1-aMine (hydrochloride);AK174381;C22H22F3N.ClH;3613AH;API0017169;(S)-N-(3-(3-(Trifluoromethyl)phenyl)propyl)-1--(1-napthyl)ethylamine Hydrochloride;1-Naphthalenemethana;BS-14662;CS-M2645;1217809-88-5;Cinacalcet (AMG-073) HCl;ent-CinacalcetHydrochloride;694495-47-1;[(1S)-1-(NAPHTHALEN-1-YL)ETHYL]({3-[3-(TRIFLUOROMETHYL)PHENYL]PROPYL})AMINE HYDROCHLORIDE;1-Naphthalenemethanamine, alpha-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-, hydrochloride (1:1), (alphaS)-;A891414;AKOS025295644;D70782;1-Naphthalenemethanamine, ?-methyl-N-[3-[3-(trifluoromethyl)phenyl]propyl]-, hydrochloride (1:1), (?S)-; (S)-Cinacalcet hydrochloride; ent-Cinacalcet hydrochloride; Cinacalcet Related Compound D as Hydrochloride;DTXSID10675768;N-[(1S)-1-(Naphthalen-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine--hydrogen chloride (1/1);EN300-7416405;(S)-Cinacalcet hydrochloride;N-[(1S)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride;

标识符

MDL:
MFCD23160290
InChIKey:
QANQWUQOEJZMLL-NTISSMGPSA-N
Inchi:
1S/C22H22F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;1H/t16-;/m0./s1
SMILES:
Cl.FC(C1=CC=CC(=C1)CCCN[C@@H](C)C1=CC=CC2C=CC=CC1=2)(F)F

S-盐酸西那卡塞(694495-47-1)物化性质

实验特性

  • LogP : 7.33490
  • PSA : 12.03000
  • 熔点 : 179-181?C

计算特性

  • 精确分子量 : 393.14700
  • 氢键供体数量 : 2
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 6
  • 同位素质量 : 393.1471119g/mol
  • 重原子数量 : 27
  • 复杂度 : 422
  • 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 : 2
  • 拓扑分子极性表面积 : 12

S-盐酸西那卡塞(694495-47-1)国际标准相关数据

EINECS:

S-盐酸西那卡塞(694495-47-1)相关文献

S-盐酸西那卡塞(694495-47-1)参考资料

Reaxys RN:
PubChem CID: