AG00389L

154361-50-9 | 5'-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine

AG00389L

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CAS Number	154361-50-9
Catalog Number	AG00389L(AGN-PC-0O4E6N)
Chemical Name	5'-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine
IUPAC Name	pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
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
InChI Key	GAGWJHPBXLXJQN-UORFTKCHSA-N
MDL Number	MFCD00930626
Molecular Formula	C15H22FN3O6
Molecular Weight	359.3501
SMILES	C[C@@H]1[C@H]([C@H]([C@H](N2C(N=C(C(F)=C2)NC(OCCCCC)=O)=O)O1)O)O
UNII	6804DJ8Z9U
Synonyms	capecitabine, N(4)-pentyloxycarbonyl-5'-deoxy-5-fluorocytidine, Xeloda, CAPECITABINE, 154361-50-9, Xeloda, Capiibine, Capecitibine, 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine, Ro 09-1978, UNII-6804DJ8Z9U, N(4)-Pentyloxycarbonyl-5'-deoxy-5-fluorocytidine, Ro 09-1978/000, 5'-Deoxy-5-fluoro-N-((pentyloxy)carbonyl)cytidine, Captabin, R340, Cytidine, 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]-, Pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate, Pentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl)carbamate, C15H22FN3O6, CHEBI:31348, GAGWJHPBXLXJQN-UORFTKCHSA-N, 6804DJ8Z9U, Carbamic acid, (1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-, pentyl ester, pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate, Caxeta, Xabine, Ro-091978000, DSSTox_CID_26451, DSSTox_RID_81625, DSSTox_GSID_46451, (1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester, pentyl N-{1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl}carbamate, Cytidine, 5'-deoxy-5-fluoro-N-((pentyloxy)carbonyl)-, Capecitabine [USAN], capecitabina, capecitabinum, Capecitabin, Capecitabine(Xeloda), Capecitabine (Xeloda), SMR002530052, Xeloda (TN), CAS-154361-50-9, Capecitabine (JAN/USAN/INN), HSDB 7656, NCGC00164569-01, AK-72933, Capecitabine [USAN:USP:INN:BAN], RG-340, Capecitabine, 99%, PubChem21443, Ro-09-1978, R-340, AC1Q4KU8, SCHEMBL8153, CHEMBL1773, MLS003915642, MLS004774137, AC1L1U83, CYT011, GTPL6799, DTXSID3046451, Capecitabine, analytical standard, CTK0H6126, Capecitabine, >=98% (HPLC), EX-A835, BCPP000300, AMX10125, HY-B0016, KS-00000E7O, ZINC3806413, Tox21_112198, CC0143, s1156, AKOS015920130, Tox21_112198_1, AM84502, BCP9000483, BS-1000, CS-0768, DB01101, MCULE-2851259722, Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate, NCGC00164569-02, AJ-45659, AN-16068, BC215614, BR-72933, CC-25374, LS-59070, pentyl 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-ylcarbamate, SC-08810, AB0068959, ST2413659, FT-0082472, FT-0601618, FT-0696497, Ro-09-1978-000, C12650, D01223, n4-pentyloxycarbonyl-5'-deoxy-5-fluorocytidine, S-3173, AB01274776-01, AB01274776-02, AB01274776_04, 361C509, 5'-deoxy-5-fluoro-N4-(pentyloxycarbonyl)cytidine, C-20872, SR-01000931255, J-700154, Q-200788, SR-01000931255-3, BRD-K61192372-001-08-9, Z1741971721, Capecitabine, European Pharmacopoeia (EP) Reference Standard, Capecitabine, United States Pharmacopeia (USP) Reference Standard, Capecitabine, Pharmaceutical Secondary Standard; Certified Reference Material, Pentyl (1-((2R,3R,4S,5R)-3,4-dihydroxy-5-methyltetrahydrofuran-2-yl)-5-fluoro-2-oxo-1,2-dihydropyrim, pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl]-5-fluoro-2-oxo-pyrimidin-4-yl]carbamate, Canertinib, Capecytabine, Capecitabine;, Capecitabine Sun, Capecitabine Krka, Capecitabine Teva, Capecitabine Medac, Capecitabine Accord, CAPE, D00HCQ, cc-330, Capecitabine (Fluoropyrimidine), Xeloda, Captabin, Capecitabine, Capecitabine, 99% - 1G 1g, CID60953, C15-H22-F-N3-O6, ACN-034380, CS-O-01072, A8647, Ro-09-1978/000, A10177, C110904, D000069287, [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl]carbamic acid pentyl ester, 162204-20-8,

Complexity	582
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	359.149g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	359.354g/mol
Monoisotopic Mass	359.149g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	121A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number