CAS号:163252-36-6-Clevudine - Clevudine-科华智慧

1. 主信息

英文名:	Clevudine
中文名:	Clevudine
CAS编号:	163252-36-6
化学分子式：	C₁₀H₁₃FN₂O₅
化学分子量：	260.22 g/mol
SMILES：	CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F
来源：	合成化合物
结构类型：	-
其它名称或标识：	1-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione, 1-(2-deoxy-2-fluoro-beta-L-arabinofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione 1-(2-fluoro-2-deoxy-beta-arabinofuranosyl)thymine 1-(2-fluoro-2-deoxy-beta-D-arabinofuranosyl)thymine 1-(2-fluoro-5-methyl-beta,L-arabinofuranosyl)uracil

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	5mg	98%	281	2-8℃	现货	-
科华智慧	10mg	98%	384	2-8℃	现货	-
科华智慧	50mg	98%	1024	2-8℃	现货	-
科华智慧	250mg	98%	1920	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 31 32 0 1 0 0 0 0 0999 V2000 -1.0623 0.2594 1.8368 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5022 -0.2565 -1.0739 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6664 1.7116 -0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5302 -2.8421 -0.7725 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2617 2.7617 -0.5496 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4602 -0.4592 0.1881 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5465 0.5552 -0.2790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8466 1.1451 -0.1817 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9757 0.6480 0.5634 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8474 0.8474 -0.4345 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5665 1.0833 0.8797 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7709 -0.4899 -0.4308 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7105 -1.8594 0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9318 -0.7629 -0.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5255 1.5737 -0.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1968 -1.1697 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2796 -0.1523 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5834 -2.5932 0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5514 0.3525 1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 1.7158 -1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4711 2.1148 1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5315 -0.4925 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 -2.0783 0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8873 -1.9487 0.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2154 1.9164 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1420 -1.5005 0.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 1.8624 -0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7039 -2.6350 -1.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -2.6900 1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 -2.9500 -0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7116 -3.2556 0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 9 1 0 0 0 0 3 25 1 0 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 15 2 0 0 0 0 6 17 2 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

1-[(2S,3R,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

4.2 InChl

InChI=1S/C10H13FN2O5/c1-4-2-13(10(17)12-8(4)16)9-6(11)7(15)5(3-14)18-9/h2,5-7,9,14-15H,3H2,1H3,(H,12,16,17)/t5-,6+,7-,9-/m0/s1

4.3 InChlKey

GBBJCSTXCAQSSJ-XQXXSGGOSA-N

4.4 Canonical SMILES

CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F

4.5 lsomeric SMILES

CC1=CN(C(=O)NC1=O)[C@@H]2[C@@H]([C@H]([C@@H](O2)CO)O)F

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型