154361-50-9
Product Name:
Capecitabine
Formula:
C15H22FN3O6
Synonyms:
5′-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine;CAP;Capecitabine;Ro-9-1978
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | White to off-white crystalline powder |
| Melting Point | 110-121 °C |
| Solubility | 26 mg/mL |
| LogP | 0.4 |
| Stability/Shelf Life | Capecitabine tablets reportedly are stable for at least 9 months when stored in tightly closed containers at room temperature. |
| Dissociation Constants | pKa1 = 1.9 (amide) |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H341:Germ cell mutagenicity H350:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 359.35 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 359.14926359 g/mol |
| Monoisotopic Mass | 359.14926359 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 582 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
Description
Capecitabine is a carbamate ester that is cytidine in which the hydrogen at position 5 is replaced by fluorine and in which the amino group attached to position 4 is converted into its N-(penyloxy)carbonyl derivative. Capecitabine is a antineoplastic agent used in the treatment of cancers. It has a role as an antineoplastic agent, a prodrug and an antimetabolite. It is a carbamate ester, an organofluorine compound and a member of cytidines.