Capecitabine intermediate structure, CAS 161599-46-8

Capecitabine intermediate

CAS Number161599-46-8

Synonyms5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine; [(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate; 2,3-Di-O-Acetyl-5-Deoxy-5-Fuluro-D-Cytidine; Cytidine, 5'-deoxy-5-fluoro-, 2',3'-diacetate; T6NVNJ DZ EF A- BT5OTJ COV1 DOV1 E1 &&Ribo-β-D Form; 1-(2,3-Di-O-acetyl-5-deoxy-β-D-ribofuranosyl)-5-fluoro-4-imino-1,4-dihydro-2-pyrimidinol; 2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine; 2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-D-cytidine

Molecular FormulaC13H16FN3O6

Molecular Weight329.28

Purity

Density1.6±0.1 g/cm3

Boiling Point427.4±55.0 °C at 760 mmHg

Melting Point196-198?C

Flash Point

AppearanceSolid;White to Almost white powder to crystal

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9059921 Purity:
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Quality Control of [ 161599-46-8 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number161599-46-8
Catalog No.2A-9059921
Chinese Name2',3'-二-O-乙酰基-5'-脱氧-5-氟胞苷
Synonyms5'-Deoxy-2',3'-di-O-acetyl-5-fluorocytidine; [(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate; 2,3-Di-O-Acetyl-5-Deoxy-5-Fuluro-D-Cytidine; Cytidine, 5'-deoxy-5-fluoro-, 2',3'-diacetate; T6NVNJ DZ EF A- BT5OTJ COV1 DOV1 E1 &&Ribo-β-D Form; 1-(2,3-Di-O-acetyl-5-deoxy-β-D-ribofuranosyl)-5-fluoro-4-imino-1,4-dihydro-2-pyrimidinol; 2',3'-Di-O-acetyl-5'-deoxy-5-fluorocytidine; 2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-D-cytidine
Molecular FormulaC13H16FN3O6
Molecular Weight329.28
Density1.6±0.1 g/cm3
Boiling Point427.4±55.0 °C at 760 mmHg
Melting Point196-198?C
AppearanceSolid;White to Almost white powder to crystal
Water SolubilitySoluble in: methanol
Storage Condition-20°C Freezer
HTC2934999090
SMILESC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C
InChIInChI=1S/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12-/m1/s1
InChI KeyNWJBWNIUGNXJGO-RPULLILYSA-N
UNSPSC41116107
MSDSmsds/59921_1_161599_46_8.pdf
Tax Rebate13.0%
SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 20.0%
Transport InfoProduct name: Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
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