74874-10-5 ((2R,4R)-1-[(2S)-5-[[亚氨基(硝基氨基)甲基]氨基]-2-[[(3-甲基-8-喹啉基)磺酰基]氨基]-1-氧代戊基]-4-甲基-2-哌啶甲酸,N-Nitro-1,2,3,4-tetradehydro Argatroban)

CAS号:
74874-10-5
中文名称:
(2R,4R)-1-[(2S)-5-[[亚氨基(硝基氨基)甲基]氨基]-2-[[(3-甲基-8-喹啉基)磺酰基]氨基]-1-氧代戊基]-4-甲基-2-哌啶甲酸
英文名称:
N-Nitro-1,2,3,4-tetradehydro Argatroban
分子式:
C23H31N7O7S
分子量:
549.599943399429

(2R,4R)-1-[(2S)-5-[[亚氨基(硝基氨基)甲基]氨基]-2-[[(3-甲基-8-喹啉基)磺酰基]氨基]-1-氧代戊基]-4-甲基-2-哌啶甲酸(74874-10-5)名称与标识符

名称

中文别名:
(2R,4R)-1-[(2S)-5-[[亚氨基(硝基氨基)甲基]氨基]-2-[[(3-甲基-8-喹啉基)磺酰基]氨基]-1-氧代戊基]-4-甲基-2-哌啶甲酸;(2R,4R)-1-[(2S)-5-[[亚硝胺甲基]氨基]-2-[[(3-甲基-8-喹啉基)酰磺基]氨基]-1-氧代戊基]-4-甲基-2-哌啶甲酸;阿加曲班-6;左旋多巴杂质A;阿加曲班杂质17;
英文别名:
(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic acid;N-Nitro-1,2,3,4-tetradehydro Argatroban;2-Piperidinecarboxylic acid, 1-[(2S)-5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, (2R,4R)-;2-PIPERIDINECARBOXYLIC ACID, 1-[5-[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-,[2R-[1(S*), 2ALPHA, 4BETA]]-;ARGATROBAN INTER-6;Argatroban-6;N-Nitro-1,2,3,4-tetr;(2R,4R)-1-[N8-Nitro-N2-(3-methylquinoline-8-sulfonyl)-L-arginyl]-4-methylpiperidine-2-carboxylic acid;(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2- [[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid (Afatinib Impurity pound(c);74872-83-6;(2R,4R)-4-Methyl-1-((S)-2-(3-methylquinoline-8-sulfonamido)-5-(3-nitroguanidino)pentanoyl)piperidine-2-carboxylic acid;AMY21983;(2r,4r)-1-((2s)-5-((imino(nitroamino)methyl)amino)-2-(((3-methyl-8-quinolinyl)sulfonyl)amino)-1-oxopentyl)-4-methyl-2-piperidinecarboxylic acid;A899937;1-(N8-Nitro- N2-(3-methylquinoline-8-sulfonyl)-L-arginyl)-4-methylpiperidine-2-carboxylic acid, (2R,4R)-;(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylicAcid(AfatinibImpurity pound(c);AKOS016010211;(2R,4R)-1-[(2S)-5-[[Imino(nitroamino)methyl]amino]-2- [[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid (Afatinib Impurity;N-Nitro tetradehydroargatroban;UNII-86JF2UKF4B;N-NITRO TETRADEHYDROARGATROBAN [USP IMPURITY];(2R,4R)-1-(N8-Nitro- N2-(3-methylquinoline-8-sulfonyl)-L-arginyl)-4-methylpiperidine-2-carboxylic acid;2-Piperidinecarboxylic acid, 1-[5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, [2R-[1(S*),2alpha,4beta]]-;N-Nitro tetradehydroargatroban [USP];74874-10-5;86JF2UKF4B;J-523739;(2R,4R)-1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid;CS-0164168;

标识符

MDL:
MFCD08458426
InChIKey:
XBDLKMBSCAVLDV-FHLIZLRMSA-N
Inchi:
1S/C23H31N7O7S/c1-14-8-10-29(18(12-14)22(32)33)21(31)17(6-4-9-25-23(24)27-30(34)35)28-38(36,37)19-7-3-5-16-11-15(2)13-26-20(16)19/h3,5,7,11,13-14,17-18,28H,4,6,8-10,12H2,1-2H3,(H,32,33)(H3,24,25,27)/t14-,17+,18-/m1/s1
SMILES:
S(C1=CC=CC2=CC(C)=CN=C12)(N[C@@H](CCC/N=C(\N)/N[N+](=O)[O-])C(N1CC[C@@H](C)C[C@@H]1C(=O)O)=O)(=O)=O

(2R,4R)-1-[(2S)-5-[[亚氨基(硝基氨基)甲基]氨基]-2-[[(3-甲基-8-喹啉基)磺酰基]氨基]-1-氧代戊基]-4-甲基-2-哌啶甲酸(74874-10-5)物化性质

实验特性

  • LogP : 3.80200
  • PSA : 218.78000
  • 折射率 : 1.686
  • 沸点 : 814.8°C at 760 mmHg
  • 闪点 : 446.6°C
  • 密度 : 1.53

计算特性

  • 精确分子量 : 549.20100
  • 氢键供体数量 : 5
  • 氢键受体数量 : 11
  • 可旋转化学键数量 : 13
  • 同位素质量 : 549.201
  • 重原子数量 : 38
  • 复杂度 : 997
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 3
  • 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) : 1.7
  • 拓扑分子极性表面积 : 221A^2

(2R,4R)-1-[(2S)-5-[[亚氨基(硝基氨基)甲基]氨基]-2-[[(3-甲基-8-喹啉基)磺酰基]氨基]-1-氧代戊基]-4-甲基-2-哌啶甲酸(74874-10-5)安全信息

(2R,4R)-1-[(2S)-5-[[亚氨基(硝基氨基)甲基]氨基]-2-[[(3-甲基-8-喹啉基)磺酰基]氨基]-1-氧代戊基]-4-甲基-2-哌啶甲酸(74874-10-5)海关数据

海关编码:
29163100
海关数据:

中国海关编码:

29163100

(2R,4R)-1-[(2S)-5-[[亚氨基(硝基氨基)甲基]氨基]-2-[[(3-甲基-8-喹啉基)磺酰基]氨基]-1-氧代戊基]-4-甲基-2-哌啶甲酸(74874-10-5)推荐厂家 更多厂家(30)

(2R,4R)-1-[(2S)-5-[[亚氨基(硝基氨基)甲基]氨基]-2-[[(3-甲基-8-喹啉基)磺酰基]氨基]-1-氧代戊基]-4-甲基-2-哌啶甲酸(74874-10-5)上下游