24757-90-2 (2-Chloro-2'-deoxyadenosine,2-chloro-2'-deoxyadenosine)

CAS号:
24757-90-2
中文名称:
2-Chloro-2'-deoxyadenosine
英文名称:
2-chloro-2'-deoxyadenosine
分子式:
C10H12ClN5O3
分子量:
285.686980247498

2-Chloro-2'-deoxyadenosine(24757-90-2)名称与标识符

名称

中文别名:
2-Chloro-2'-deoxyadenosine;
英文别名:
2-chloro-2'-deoxyadenosine;Movectro;Tox21_300596;CLADRIBINE [VANDF];cladribinum;Cladribine, United States Pharmacopeia (USP) Reference Standard;Leustatin;CLADRIBINE [WHO-DD];Cladribine- Bio-X;NC00366;AKOS015892544;CLADRIBINE [EP MONOGRAPH];NCGC00254518-01;A826062;2CdA;CLADRIBINE [USP MONOGRAPH];CAS-4291-63-8;AMY22140;NS00005088;AS-12366;HMS3715F17;2-CdA;2 Chlorodeoxyadenosine;NCGC00022567-06;Cladaribine;Leustat;BDBM38920;Chlorodeoxyadenosine;UNII-47M74X9YT5;SR-01000003063-7;NSC 105014;MFCD00153939;MLS000028377;RWJ-26251-000;BC164318;DTXCID602828;MLS001424194;Litak;CS-2057;DTXSID8022828;CHEMBL1619;CCRIS 9374;CCG-101116;(2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;Cladribine, European Pharmacopoeia (EP) Reference Standard;(2R,3S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol;CLADRIBINE [USAN];NCGC00164384-01;2-chloro-6-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine;CLADRIBINE [HSDB];BP-25407;RWJ-26251;CLADRIBINE [USP-RS];Tox21_110834;BRN 0624220;NCGC00022567-05;CLADRIBINE [JAN];Mavenclad (TN);D01370;CldAdo;Cladarabine;Cladribine [USAN:USP:INN:BAN];GTPL4799;CLADRIBINE [USP IMPURITY];Leustatin (TN);CL9;SMR000058553;6-amino-2-chloro-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine;ADENOSINE, 2-CHLORO-2'-DEOXY-;24757-90-2;Mylinax;SCHEMBL3775;4291-63-8;CLADRIBINE [EMA EPAR];Adenosine, 2-chloro-2'-deoxy;2-Chloro-6-amino-9-(2-deoxy-beta-D-erythropentofuranosyl)purine;DB00242;RWJ 26251;SW197746-4;2-Chloro-2'-deoxy-beta-adenosine;2-chloro-deoxyadenosine;BRD-K93034159-001-25-8;S1199;47M74X9YT5;HMS2232C23;NCGC00018167-03;MLS001077345;HMS2052K13;BCP9000538;mavenclad;(2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol;6-amino-2-chloro-9-(2-deoxy-beta-erythropentofuranosyl)purine;Cladribine;NSC-05014;NCGC00022567-08;AB00382963-17;2ClAdo;AB00382963_19;CLADRIBINE [MART.];Q414030;NSC-105014;NCGC00022567-07;CLADRIBINE [MI];AC-7591;2-Chloro-2'-deoxyadenosine, antileukemic;SR-01000003063-10;2-Chloro-2'-deoxyadenosine;(2R,3S,5R)-5-(6-amino-2-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol;MLS000759397;HY-13599;CHEBI:567361;AKOS015854898;(2R,3S,5R)-5-(6-amino-2-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol;Cladribine for peak identification;cid_20279;CLADRIBINE [INN];SR-01000003063;Cladribine (JAN/USP/INN);CLADRIBINE [ORANGE BOOK];cladribina;HSDB 7564;Opera_ID_1191;Cladribine for peak identification, European Pharmacopoeia (EP) Reference Standard;MLS000028484;2-chloro-2'-deoxy-adenosine;NSC-105014-F;2-Chlorodeoxyadenosine;BCP02868;

标识符

InChIKey:
PTOAARAWEBMLNO-KVQBGUIXSA-N
Inchi:
1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1
SMILES:
ClC1N=C(C2=C(N=1)N(C=N2)[C@H]1C[C@@H]([C@@H](CO)O1)O)N

2-Chloro-2'-deoxyadenosine(24757-90-2)物化性质

实验特性

  • LogP : -0.1

计算特性

  • 精确分子量 : 285.0628670g/mol
  • 氢键供体数量 : 3
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 2
  • 同位素质量 : 285.0628670g/mol
  • 重原子数量 : 19
  • 复杂度 : 338
  • 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) : 0.8
  • 拓扑分子极性表面积 : 119Ų

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