Basic information
- CAS
32387-56-7- Standard SMILES
Nc1nc(=O)n(C2CC(O)C(CO)O2)cc1Cl- InChIKey
NGGRGTWYSXYVDK-UHFFFAOYSA-N- Molecular formula
- C9H12ClN3O4
- Average molar mass
- 261.66 g/mol
- Monoisotopic mass
- 261.0516336
Names & identifiers
- Preferred name
- 4-amino-5-chloro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one
- IUPAC
- 4-amino-5-chloro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
- English name
- 5-Chloro-2'-deoxycytidine
- Molecular formula
- C9H12ClN3O4
- Molecular weight
- 261.66
Names & synonyms
MLS003389484Cytidine,5-chloro-2'-deoxy-CHEMBL2356469SMR0020491344-amino-5-chloro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-oneCytochlor5-Chloro-2'-deoxycytidineCytidine, 5-chloro-2'-deoxy-4-Amino-5-chloro-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one
Database identifiers
- CAS
32387-56-7- PubChem CID
- 340558
- ChEMBL
CHEMBL2356469
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Boiling point
- 497.918 · 497.918±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.863 · 1.863±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.034 · 14.034±0.60(predicted)
- NCI Dictionary of Cancer Terms
- cytochlor
- FDA UNII
- 14 D49ZN55 · J14D49ZN55
- NCI Drug Dictionary
- cytochlor
Chemistry & industry
Applications
Uses5-Chloro-2’-deoxycytidine is a good markers to detect myeloperoxidase (MPO) activity in biological fluids. Possible radiosensitizing agent for cancer treatment.
Suppliers20 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
郑州格然林医药科技有限公司0371-85513397 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
四川普西奥标物科技有限公司13540909846 13882008651 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
郑州诺科赛德生物科技有限公司15981919713 15981919713 · [email protected]
浙江泽天精细化工有限公司18957127338 · [email protected]
Aladdin Scientific[email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
浙江天酶生物工程有限公司19967302939 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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