Basic information
- CAS
32659-31-7- Standard SMILES
Nc1ccn(C2OC(CCl)C(O)C2O)c(=O)n1- InChIKey
BPGIZMWGUQVFSE-UHFFFAOYSA-N- Molecular formula
- C9H12ClN3O4
- Average molar mass
- 261.66 g/mol
- Monoisotopic mass
- 261.0516336
Names & identifiers
- Preferred name
- 2(1H)-Pyrimidinone, 4-amino-1-(5-chloro-5-deoxy-beta-D-arabinofuranosyl)-
- IUPAC
- 4-amino-1-[5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one
- English name
- 5'-chloro-5'-deoxyarabinosylcytosine
- Molecular formula
- C9H12ClN3O4
- Molecular weight
- 261.66
Names & synonyms
MLS0031159472(1H)-Pyrimidinone, 4-amino-1-(5-chloro-5-deoxy-.beta.-D-arabinofuranosyl)-NSC318799SCHEMBL6686648CHEMBL2357771SCHEMBL14577673DTXSID109543634-amino-1-[5-(chloromethyl)-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-oneNSC-318799SMR001831509DB-2290151-(5-Chloro-5-deoxypentofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol
Show more names
Cytarabine 11Cytarabine Impurity 7Deoxy Chlorocytarabine5'-ChloroarabinosylcytosineCytarabine Deoxy Chloro Impurity5'-deoxy-5'-(methylamino)thymidine5'-chloro-5'-deoxyarabinosylcytosine4-Amino-1-(5-chloro-5-deoxy-β-D-arabinofuranosyl)pyrimidin-2-(1H)-one2(1H)-Pyrimidinone, 4-amino-1-(5-chloro-5-deoxy-β-D-arabinofuranosyl)-4-amino-1-((2R,3S,4S,5S)-5-(chloromethyl)-3,4-dihydroxytetrahydrofuran-2-yl)pyrimidin-2(1H)-one
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 386
Experimental & physicochemical properties
LogP-1.05
Physicochemical properties
- Boiling point
- 521.7 · 521.7±60.0 °C(Predicted)
- Density
- 1.86 · 1.86±0.1 g/cm3(Predicted)
- pka
- 13.37 · 13.37±0.70(Predicted)
Chemistry & industry
Applications
UsesDeoxy Chlorocytarabine is a lipophilic DNA synthesis inhibitor and has antileukemic activity.
Suppliers20 total
济南百隆化学有限公司[email protected] · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
坛墨质检科技股份有限公司19850211281 · [email protected]
BOC Sciences16314854226 · [email protected]
北京秦岭医药科技有限公司010-61241352 18901327973 · [email protected]
Related reactions
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Compound notes
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