81645-68-3 ((Ornithine, 2-(difluoromethyl)-, hydrochloride)

CAS号:
81645-68-3
英文名称:
Ornithine, 2-(difluoromethyl)-, hydrochloride
分子式:
C6H13ClF2N2O2
分子量:
218.629427671432

Ornithine, 2-(difluoromethyl)-, hydrochloride(81645-68-3)名称与标识符

名称

英文别名:
Ornithine, 2-(difluoromethyl)-, hydrochloride;(2S)-2,5-diamino-2-(difluoromethyl)pentanoic acid,hydrochloride;D,L-alpha-Difluoromethylornithine hydrochloride;DFMO;MDL71782;RMI71782;-difluoromethylornithine;Eflornithine . HCl . HO;DFMO . HCl . HO;alpha-Difluoromethylornithine . HCl . HO;NSC 270295;2-(Difluoromethyl)-DL-ornithine hydrochloride;2,5-diamino-2-(difluoromethyl)pentanoic acid;hydrochloride;Eflornithine (hydrochloride);Eflornithine hydrochloride anhydrous;2,5-DIAMINO-2-(DIFLUOROMETHYL)PENTANOIC ACID, MONOHYDROCHLORIDE;MLS000069341;DFMO hydrochloride;FT-0630774;DL-;SCHEMBL3022583;NCGC00261114-01;EN300-6486829;Tox21_500429;DL-2-(Difluoromethyl)-ornithine hydrochloride;EFLORNITHINE HYDROCHLORIDE;DFMO HCl;Eflornithine HCl;NS00090213;Q27291165;DL-Ornithine, 2-(difluoromethyl)-, monohydrochloride;H-alpha-Difluoro-Me-DL-Orn-OH . HCl . HO;SR-01000076229;AC-388;SMR000058442;A836749;E0947;DFMO HCl;2-(Difluoromethyl)ornithine hydrochloride;NSC270295;2,5-diamino-2-(difluoromethyl)pentanoic acid hydrochloride;Eflornithine HCl;EU-0100429;DFMO;MDL71782;RMI71782;alpha-difluoromethylornithine;a-Difluoromethylornithin;NSC-337250;Ornithine, 2-(difluoromethyl)-, monohydrochloride;NCGC00093850-01;DL-alpha-Difluoromethylornithine HCl;MFCD00274036;BCP11748;LP00429;A-Difluoromethylornithine hydrochloride;CCRIS 5805;.alpha.-DFMO HCl;A836071;SR-01000076229-1;Eflornithine HCl H;DFMO HCl H;-Difluoromethylornithine HCl H;AKOS015895186;DTXSID601019072;2-(Difluoromethyl)-DL-ornithine monohydrochloride;2,5-bis(azanyl)-2-[bis(fluoranyl)methyl]pentanoic acid hydrochloride;DL- alpha -Difluoromethylornithine hydrochloride;CHEMBL536971;NSC 337250;Eflornithine Hydrocloride;KS-1261;2-(Difluoromethyl)-DL-ornithine HCl;dfmo;CCG-221733;H-alpha-Difluoro-Me-DL-Orn-OH HCl HO;EINECS 269-532-0;HY-B0744A;Eflornithinehydrochloride;UNII-UO07O10TCJ;DL-Ornithine, monohydrochloride;81645-68-3;DL-alpha-Difluoromethylornithine hydrochloride hydrate;DL-alpha-Difluoromethylornithine hydrochloride;NSC-270295;L-EFLORNITHINE HYDROCHLORIDE;EFLORNITHINE HYDROCHLORIDE [MI];68278-23-9;2,5-diamino-2-(difluoromethyl)pentanoic acid hydrochloride;(RS)-eflornithine hydrochloride;Vaniqa;MLS001332583;UO07O10TCJ;Opera_ID_46;H--Difluoro-Me-DL-Orn-OH HCl H;

标识符

InChIKey:
VKDGNNYJFSHYKD-UHFFFAOYSA-N
Inchi:
1S/C6H12F2N2O2.ClH/c7-4(8)6(10,5(11)12)2-1-3-9;/h4H,1-3,9-10H2,(H,11,12);1H
SMILES:
Cl.FC(C(C(=O)O)(CCCN)N)F

Ornithine, 2-(difluoromethyl)-, hydrochloride(81645-68-3)物化性质

计算特性

  • 精确分子量 : 218.0633617g/mol
  • 氢键供体数量 : 4
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 5
  • 同位素质量 : 218.0633617g/mol
  • 重原子数量 : 13
  • 复杂度 : 166
  • 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 : 89.3Ų

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