Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00380
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| Drug Name |
Capecitabine
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| Synonyms |
(1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester; 5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine; 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine; Capecitabin; Capecitabina; Capecitabine (Fluoropyrimidine); Capecitabine (JAN/USAN/INN); Capecitabine [USAN]; Capecitabinum; Capecitibine; Capiibine; Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester; Caxeta; N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine; Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate; Pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate; Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate; R340;R-340; RG-340; Ro 09-1978; Ro 09-1978/000; Ro-09-1978; Ro-09-1978/000; Xabine; Xeloda; Xeloda (TN); Xeloda, Captabin, Capecitabine
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| Drug Type |
Small molecular drug
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| Therapeutic Class |
Anticancer Agents
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| Structure |
|
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| 3D MOL | 2D MOL | |||||
| Formula |
C15H22FN3O6
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| Canonical SMILES |
CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O
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| InChI |
InChI=1S/C15H22FN3O6/c1-3-4-5-6-24-15(23)18-12-9(16)7-19(14(22)17-12)13-11(21)10(20)8(2)25-13/h7-8,10-11,13,20-21H,3-6H2,1-2H3,(H,17,18,22,23)/t8-,10-,11-,13-/m1/s1
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| InChIKey |
GAGWJHPBXLXJQN-UORFTKCHSA-N
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| CAS Number |
CAS 154361-50-9
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| Pharmaceutical Properties | Molecular Weight | 359.35 | Topological Polar Surface Area | 121 | ||
| Heavy Atom Count | 25 | Rotatable Bond Count | 7 | |||
| Hydrogen Bond Donor Count | 3 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
0.6
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| PubChem CID | ||||||
| PubChem SID |
103724218
,104322032
,117506114
,117673331
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,134358377
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,135723537
,136368008
,136375551
,136949108
,137005622
,140014282
,143493385
,144115785
,144205751
,14828191
,14925873
,152059549
,152235778
,152258963
,160647810
,160964435
,162011675
,163304897
,164175281
,164194987
,165245546
,29214852
,43118267
,46508686
,49960125
,53790473
,57314195
,583040
,71821403
,74459733
,7848286
,7978485
,8187136
,99436918
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| ChEBI ID |
ChEBI:31348
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| TTD Drug ID | ||||||
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