Basic information
- CAS
124012-42-6- Standard SMILES
COc1cc(C(=O)Nc2nc(=O)n([C@@H]3O[C@H](C)[C@@H](O)[C@H]3O)cc2F)cc(OC)c1OC- InChIKey
TVYPSLDUBVTDIS-FUOMVGGVSA-N- Molecular formula
- C19H22FN3O8
- Average molar mass
- 439.4 g/mol
- Monoisotopic mass
- 439.13909283
Overview
Galocitabine is a small molecule drug. The usage of the INN stem '-citabine' in the name indicates that Galocitabine is a nucleoside antiviral or antineoplastic agent, cytarabine or azacitidine derivative. Galocitabine has a monoisotopic molecular weight of 439.14 Da.
Names & identifiers
- Preferred name
- Galocitabine
- IUPAC
- N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3,4,5-trimethoxybenzamide
- English name
- Galocitabine
- Molecular formula
- C19H22FN3O8
- Molecular weight
- 439.394
Names & synonyms
Galocitabine124012-42-6GalocitabinaGalocitabinumRo 09-1390Ro-09-1390X9788XI79ON-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]-3,4,5-trimethoxybenzamideDTXSID10154189N(4)-trimethoxybenzoyl-5-fluoro-5'-deoxycytidineCytidine, 5'-deoxy-5-fluoro-N-(3,4,5-trimethoxybenzoyl)-N-(1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl)-3,4,5-trimethoxybenzamide
Show more names
NeofrutulonGalocytabineN-(3,4,5-Trimethoxybenzoyl)-5'-deoxy-5-fluorocytidine5'-Deoxy-5-fluoro-N4-(3,4,5-trimethoxybenzoyl)cytidineN-[1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydro-4-pyrimidinyl]-3,4,5-trimethoxybenzamide
RefChem:142210DTXCID9076680Galocitabine [INN]5'-Deoxy-5-fluoro-N-(3,4,5-trimethoxybenzoyl)cytidineN(4)-trimethoxybenzoyl-5'-deoxy-5-fluorocytidineN-(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-3,4,5-trimethoxybenzamideGalocitabinum [INN-Latin]Galocitabina [INN-Spanish]
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 748
Physicochemical properties
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 6.8 · 6.80±0.40(Predicted)
- FDA UNII
- 9788 XI79O · X9788XI79O
Chemistry & industry
Applications
UsesGalocitabine (Ro 09-1390) is a nucleoside analog with anticancer and antiviral activity[1].
Upstream & downstream products
Downstream products
Suppliers11 total
LGM Pharma1-(800)-881-8210 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
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Compound notes
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