4919-04-4 (替莫唑胺杂质13,4-amino-1H-imidazole-5-carboxylic acid)

快速询单

结构式：

替莫唑胺杂质13MOL文件

CAS号：

4919-04-4

中文名称：

替莫唑胺杂质13

英文名称：

4-amino-1H-imidazole-5-carboxylic acid

分子式：

C₄H₅N₃O₂

分子量：

127.101400136948

API：

Temozolomide

替莫唑胺杂质13(4919-04-4)名称与标识符

名称

英文别名：

5-Amino-1H-imidazole-4-carboxylic acid;4-amino-5-imidazole carboxylate;5-amino-4-imidazole carboxylate;AC1L18IL;C05516;CHEBI:28280;SureCN101340;SureCN71570;4-amino-1H-imidazole-5-carboxylic acid;AKOS006276123;CS-0452931;DTXSID20274261;AB54857;4-aminoimidazole-5-carboxylate;C90485;4-amino-imidazole-5-carboxylic acid;AKOS016009183;4919-04-4;DB-070972;SY346387;5-aminoimidazole-4-carboxylic acid;SCHEMBL71570;Q27103607;5-aminoimidazole-4-carboxylate;5-AMINO-1H-IMIDAZOLE-4-CARBOXYLICACID;EN300-93341;4-Amino-5-imidazolecarboxylic acid;MFCD09909757;

标识符

MDL：

MFCD09909757

InChIKey：

PWCLNQLPYQVWAB-UHFFFAOYSA-N

Inchi：

1S/C4H5N3O2/c5-3-2(4(8)9)6-1-7-3/h1H,5H2,(H,6,7)(H,8,9)

SMILES：

OC(C1=C(N)N=CN1)=O

替莫唑胺杂质13(4919-04-4)物化性质

实验特性

PSA : 92

计算特性

精确分子量 : 127.03825
氢键供体数量 : 3
氢键受体数量 : 5
可旋转化学键数量 : 1
同位素质量 : 127.038176411g/mol
重原子数量 : 9
复杂度 : 127
同位素原子数量 : 0
确定原子立构中心数量 : 0
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） : 0.1
拓扑分子极性表面积 : 92Å²

替莫唑胺杂质13(4919-04-4)安全信息

安全说明： H303+H313+H333
危害声明：H303吞入可能有害+H313皮肤接触可能有害+H333吸入可能对身体有害
警示性声明：P264+P280+P305+P351+P338+P337+P313
储存条件： Store at recommended temperature
信号词： warning

替莫唑胺杂质13(4919-04-4)推荐厂家更多厂家(4)

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替莫唑胺杂质13(4919-04-4)相关文献

1. Purines, pyrimidines, and imidazoles. Part XXVI. Active esters of some 5-aminoimidazole-4-carboxylic acids and their use in the preparation of 5-aminoimidazole-4-carboxyamides and their nucleoside and nucleotide derivatives
I. E. Burrows,G. Shaw J. Chem. Soc. C 1967 1088
2. 570. Purines, pyrimidines, and imidazoles. Part XVIII. Synthesis of some 5-aminoimidazole-4-carboxylic acids and 5-amino-1-β-D-ribofuranosylimidazole-4-carboxylic acid 5′-O-phosphate
G. Shaw,D. V. Wilson J. Chem. Soc. 1962 2937
3. Purines, pyrimidines, and imidazoles part 54. Interconversion of some intermediates in the de novo biosynthesis of purine nucleotides
Noel J. Cusack,Gordon Shaw,Fatma I. Logemann J. Chem. Soc. Perkin Trans. 1 1980 2316
4. Purines, pyrimidines, and imidazoles. Part XXXVI. Carboxylation of some 5-aminoimidazoles and related compounds, including nucleosides and nucleotides, with potassium hydrogen carbonate in aqueous solution
N. J. Cusack,G. Shaw,G. J. Litchfield J. Chem. Soc. C 1971 1501
5. The mechanism of decarboxylation of some 5-aminoimidazole-4-carboxylic acids and the influence of transition metals
G. J. Litchfield,G. Shaw Chem. Commun. (London) 1965 563
6. Purines, pyrimidines, and imidazoles. Part XXXIX. Formation of some 5-aminoimidazole-4-carboxylic acid derivatives from ethyl α-amino-α-cyanoacetate
D. H. Robinson,G. Shaw J. Chem. Soc. Perkin Trans. 1 1972 1715
7. Purines, pyrimidines, and imidazoles. Part XL. A new synthesis of a D-ribofuranosylamine derivative and its use in the synthesis of pyrimidine and imidazole nucleosides
Noel J. Cusack,Brian J. Hildick,David H. Robinson,Peter W. Rugg,Gordon Shaw J. Chem. Soc. Perkin Trans. 1 1973 1720
8. Index of subjects, 1967
J. Chem. Soc. C 1967 2729
9. Index of subjects, 1972
J. Chem. Soc. Perkin Trans. 1 1972 3063
10. Purines, pyrimidines, and imidazoles. Part 62. Isotopic hydrogen exchange from the C-2 position in an lmidazole nucleoside related to intermediates in purine nucleotide de novo biosynthesis
Grahame Mackenzie,Albert E. Platt,Hilary A. Wilson,Gordon Shaw J. Chem. Soc. Perkin Trans. 2 1985 2055