4-Amino-1-((2R,3R,5S)-3-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl)Pyrimidin-2(1H)-One 3'-脱氧胞苷
CAS 7057-33-2 MFCD00079144
化学结构图
SMILES: Nc1ccn([C@@H]2O[C@H](CO)C[C@H]2O)c(=O)n1
化学属性
| Mol. Formula | C9H13N3O4 |
|---|---|
| Mol. Weight | 227.22 |
| Density | 1.422 |
| Melting Point | 230-232 °C |
| Boiling Point | 497.6±55.0 °C at 760 mmHg |
别名和识别编码
| Chemical Name | 4-Amino-1-((2R,3R,5S)-3-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl)Pyrimidin-2(1H)-One |
|---|---|
| CAS Number | 7057-33-2 |
| EC Number | 250-023-7 |
| Beilstein Registry Number | 0616742 |
| MDL Number | MFCD00079144 |
| Chemical Name Translation | 3'-脱氧胞苷 |
| Synonym | 3'-Deoxycytidine {LY} 3'-Deoxycytidine {} {LY} 3'-Deoxycytidine {} {} {LY} 3'-Deoxycytidine {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {} {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {} {} {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {} {} {} {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {} {} {} {} {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3'-Deoxycytidine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3'-Deoxycytidine |
| InChIKey | ZHHOTKZTEUZTHX-SHYZEUOFSA-N |
| LabNetwork Molecule ID | LN01330378 |
| PubChem Substance ID | 145986 |
| InChI | InChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-6(14)3-5(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 |
| Canonical SMILES | O=C1N([C@H]2[C@H](O)C[C@@H](CO)O2)C=CC(N)=N1 |
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安全信息
GHS Symbol
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
TYPE OF TEST : DNA inhibition TEST SYSTEM : Rodent - mouse Fibroblast DOSE/DURATION : 1 mg/L REFERENCE : CBRPDS Cell Biology International Reports. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1977- Volume(issue)/page/year: 2,279,1978
