74874-08-1 (阿加曲班中间体,(2R,4R)1-(2S)2-Amino-5-imino(nitroamino)methylamino-1-oxopentyl-4-methyl-2-piperidinecarboxylic Acid Ethyl Ester Hydrochloride)

CAS号:
74874-08-1
中文名称:
阿加曲班中间体
英文名称:
(2R,4R)1-(2S)2-Amino-5-imino(nitroamino)methylamino-1-oxopentyl-4-methyl-2-piperidinecarboxylic Acid Ethyl Ester Hydrochloride
分子式:
C15H29ClN6O5
分子量:
408.880962133408

阿加曲班中间体(74874-08-1)名称与标识符

名称

中文别名:
(2R,4R)-1-[2-氨基-5-[[亚氨基(硝基氨基)甲基]氨基]-1-氧代戊基]-4-甲基-2-哌啶甲酸乙酯盐酸盐;阿加曲班中间体;阿加曲班-4;(2R,4R)1-[(2S)2-氨基-5-[[亚氨基(硝基氨基)甲基]氨基]-1-酮代戊基]-4-甲基-2-哌啶羧酸乙酯盐酸盐;1-[2-氨基基-5-[[亚氨基(硝基氨基)甲基]氨基]-1-氧戊基]-4-甲基-2-哌啶羧酸乙酯盐酸盐,[2R-[1(S*),2a,4beta]];1-[2-氨基基-5-[[亚氨基(硝基氨基)甲基]氨基]-1-氧戊基]-4-甲基-2-哌啶羧酸乙酯盐酸盐,[2R-[1(S*),2Α,4Β]];2-氨基-1-(4-氟苯基)乙醇;阿加曲班中间体-4;阿加曲班中间体-2;1-[2-氨基基-5-[[亚氨基(硝基氨基)甲基]氨基]-1-氧戊基]-4-甲基-2-哌啶羧酸乙酯盐酸盐,阿加曲班中间体;
英文别名:
(2R,4R)-Ethyl 1-(2-amino-5-(3-nitroguanidino)pentanoyl)-4-methylpiperidine-2-carboxylate hydrochloride;(2R,4R)1-[(2S)2-Amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxyli;(2R,4R)1-[(2S)2-Amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid Ethyl Ester ...;(2R,4R)1-[(2S)2-Amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid Ethyl Ester Hydrochloride;1-[2-Amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid Ethyl Ester Hydrochlori...;2-Piperidinecarboxylic acid, 1-[2-amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-, ethyl ester, monohydrochloride, [2R-[1(S*),2a,4b]]-;ARGATROBAN INTER-4;Ethyl (2R,4R)-1-(Nitroglycerine-nitro-L-arginyl)-4-methyl-piperidinecarboxylate hydrochloride;Ethyl (2R,4R)-1-[2-amino-5-[[imino(nitroamino)methyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylate hydrochloride;Argatroban Intermediate;ethyl (2R,4R)-4-methyl-1-(Nw-nitroarginyl)piperidine-2-carboxylate hydrochloride;RL04844;AX8238739;(2R,4R)-Ethy;Ethyl (2R,4R)-1-[2-amino-5-[[amino(nitramido)methylidene]amino]pentanoyl]-4-methylpiperidine-2-carbo;

标识符

MDL:
MFCD23135879
InChIKey:
KYMBEZAOVMYAGM-ZZCQIGCDSA-N
Inchi:
1S/C15H28N6O5.ClH/c1-3-26-14(23)12-9-10(2)6-8-20(12)13(22)11(16)5-4-7-18-15(17)19-21(24)25;/h10-12H,3-9,16H2,1-2H3,(H3,17,18,19);1H/t10-,11?,12-;/m1./s1
SMILES:
Cl.O(CC)C([C@H]1C[C@H](C)CCN1C(C(CCC/N=C(\N)/N[N+](=O)[O-])N)=O)=O

阿加曲班中间体(74874-08-1)物化性质

实验特性

  • LogP : 2.43470
  • PSA : 166.36000
  • 熔点 : 174-177°C

计算特性

  • 精确分子量 : 408.18900
  • 氢键供体数量 : 4
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 9
  • 重原子数量 : 27
  • 复杂度 : 535
  • 拓扑分子极性表面积 : 169

阿加曲班中间体(74874-08-1)安全信息

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