29363-79-9 ((2(1H)-Pyrimidinone,4-amino-1-b-D-arabinofuranosyl-,hydrochloride (9CI))

CAS号:
29363-79-9
英文名称:
2(1H)-Pyrimidinone,4-amino-1-b-D-arabinofuranosyl-,hydrochloride (9CI)
分子式:
C9H14ClN3O5
分子量:
279.677561283112

2(1H)-Pyrimidinone,4-amino-1-b-D-arabinofuranosyl-,hydrochloride (9CI)(29363-79-9)名称与标识符

名称

英文别名:
2(1H)-Pyrimidinone,4-amino-1-b-D-arabinofuranosyl-,hydrochloride (9CI);CYTOSINE β-D-ARABINOFURANOSIDE HYDROCHLORIDE;Cytosine,1-b-D-arabinofuranosyl-,hydrochloride (8CI);Cytosine-D-arabinoside hydrochloride;Arabitin hydrochloride;4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one hydrochloride;NSC-63878;BA164338;C 6645;SR-01000075773;AC 1075;AKOS015995277;DTXCID104891;NCGC00261001-01;MLS002207299;4-amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one hydrochloride;CCG-221620;1-.BETA.-D-ARABINOFURANOSYLCYTOSINE MONOHYDROCHLORIDE;2(1H)-Pyrimidinone, 4-amino-1-beta-D-arabinofuranosyl-, monohydrochloride;SCHEMBL67288;A51105;Cytosine, 1-beta-D-arabinofuranosyl-, hydrochloride;Cytosine beta-D-arabinofuranoside hydrochloride;NS00076327;Arabinofuranosylcytosine hydrochloride;1beta-D-Arabinofuranosylcytosine monohydrochloride;1-(b-D-Arabinofuranosyl)cytosine hydrochloride;Ara-C hydrochloride;CAS-69-74-9;Cytosine arabinoside hydrochloride;33K3DB6591;4-Amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one hydrochloride(1:x);HY-13605A;1-(beta-d-arabino-furanosyl)-cytosine hydrochloride;Cytosine-1-beta-D-arabinofuranoside hydrochloride;4-Amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one hydrochloride;AI3-52344;DTXSID5024891;Cytosine beta -D-arabinofuranoside hydrochloride;AC-11705;Cytarabine HCl;Cytosine beta-D-arabinofuranoside hydrochloride, crystalline;KCURWTAZOZXKSJ-JBMRGDGGSA-N;MLS000028466;Cytosine-beta-D-arabinofuranose hydrochloride;1-beta-D-Arabinofuranosylcytosine monohydrochloride;1beta-D-Arabinofuranosylcytosine hydrochloride;Cytarabine hydrochloride (USAN);U-19920A;Spongocytidine hydrochloride;UNII-33K3DB6591;Cytarabin hydrochloride;SR-01000075773-1;Tox21_500316;4-Amino-1-((2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-onehydrochloride(1:x);Cytarabine hydrochloride [USAN];LP00316;Cytarabine (hydrochloride);CYTARABINE HYDROCHLORIDE;CYTARABINE HYDROCHLORIDE [WHO-DD];MFCD00012839;Cytosine, 1-beta-D-arabinofuranosyl-, monhydrochloride;NCGC00093762-01;Aracytidine hydrochloride;s5582;2(1H)-Pyrimidinone,4-amino-1-b-D-arabinofuranosyl-,hydrochloride (1:1);SMR000058432;AC-32195;Arabinocytidine hydrochloride;4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride;69-74-9 (HCL);D03637;Arabinocytidine hydrochloride; Arabinosylcytosine hydrochloride; Ara-C hydrochloride;NCGC00254321-01;69-74-9;Q27256279;Arabinosylcytosine hydrochloride;CCRIS 4774;Opera_ID_1542;AKOS015960559;Aracytin hydrochloride;CHEMBL1256472;EINECS 200-713-9;2(1H)-Pyrimidinone, 4-amino-1-.beta.-D-arabinofuranosyl-, monohydrochloride;1-beta-D-Arabinofuranosylcytosine hydrochloride;Cytosine, 1beta-D-arabinofuranosyl-, monohydrochloride;EU-0100316;MLS001148147;29363-79-9;Arabinosyl cytosine hydrochloride;Cytosar hydrochloride;AKOS015896936;AMY15521;Cytosine, 1-beta-D-arabinofuranosyl-, monohydrochloride;Tox21_300488;

标识符

InChIKey:
KCURWTAZOZXKSJ-JBMRGDGGSA-N
Inchi:
1S/C9H13N3O5.ClH/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8;/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16);1H/t4-,6-,7+,8-;/m1./s1
SMILES:
Cl.O1[C@H](CO)[C@H]([C@@H]([C@@H]1N1C(N=C(C=C1)N)=O)O)O

2(1H)-Pyrimidinone,4-amino-1-b-D-arabinofuranosyl-,hydrochloride (9CI)(29363-79-9)物化性质

实验特性

  • LogP : -1.17980
  • PSA : 130.83000
  • 熔点 : 356 to 360 °F (NTP, 1992)

计算特性

  • 精确分子量 : 279.06200
  • 氢键供体数量 : 5
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 2
  • 同位素质量 : 279.0621982g/mol
  • 重原子数量 : 18
  • 复杂度 : 383
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 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 : 2
  • 拓扑分子极性表面积 : 129Ų

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