Capecitabine

Description

Capecitabine · CAS 154361-50-9 · C15H22FN3O6. UNII 6804DJ8Z9U. Melting Point: 110-121 °C; Melting Point: 110 - 121 °C; Solubility: 26.

Identification

CAS Registry Number	154361-50-9
PubChem CID	60953
Molecular formula	C15H22FN3O6
IUPAC name	pentyl N-[1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methyloxolan-2-yl]-5-fluoro-2-oxopyrimidin-4-yl]carbamate
UNII (FDA)	6804DJ8Z9U

Computed Descriptors

Molecular Weight	359.35
XLogP3	0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	359.14926359
Monoisotopic Mass	359.14926359
Topological Polar Surface Area	121
Heavy Atom Count	25
Formal Charge	0

Physical & Chemical Properties

Melting Point	110-121 °C
Melting Point	110 - 121 °C
Solubility	26
Solubility	In water, 26 mg/mL at 20 °C
Solubility	2.48e-01 g/L
LogP	0.4
LogP	0.67

Physical description & handling notes

• Solid
• White to off-white crystalline powder
• Crystals from ethyl acetate
• Capecitabine tablets reportedly are stable for at least 9 months when stored in tightly closed containers at room temperature.
• pKa1 = 1.9 (amide)
• Formulations: Oral tablets, 150 mg and 500 mg Capecitabine (Xeloda) /by/ Roche

GHS Hazard Classification

Reported hazard statements	H315 (13.7%), H319 (13.7%), H341 (84.3%), H350 (90.2%), H360 (96.1%)

Documented Uses

• Antineoplastic ... colorectal cancer ... breast cancer
• Use (kg) in Switzerland (2009): >500
• Use (kg; approx.) in Germany (2009): >5000
• Use (kg; exact) in Germany (2009): 5502
• Consumption (g per capita) in Switzerland (2009): 0.064
• Consumption (g per capita; approx.) in Germany (2009): 0.061

Synonyms

CAPECITABINE; 154361-50-9; Xeloda; Capecitibine; Capiibine; 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine; Captabin; capecitabina; Capecytabine; Capecitabine Sun; Capecitabine Teva; Capecitabine Medac; Capecitabine Accord; capecitabinum; Capecitabin; Ecansya

Frequently Asked Questions

What are the CAS number and molecular formula of Capecitabine?

CAS 154361-50-9; molecular formula C15H22FN3O6; molecular weight — g/mol.

What other names is Capecitabine known by?

CAPECITABINE, 154361-50-9, Xeloda, Capecitibine, Capiibine, 5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine.

Is Capecitabine classified as hazardous?

Hazard statements reported: H315, H319, H341, H350, H360.

What are the key physical properties of Capecitabine?

Melting Point: 110-121 °C; Melting Point: 110 - 121 °C; Solubility: 26; Solubility: In water, 26 mg/mL at 20 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.