10212-25-6
Product Name:
2,2'-Anhydro-1-beta-D-arabinofuranosylcytosine hydrochloride
Formula:
C9H12ClN3O4
Synonyms:
2,2′-Anhydro-(1-β-D -arabinofuranosyl)cytosine hydrochloride;Cyclo-C;Cyclocytidine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | H2O 200 ( mg/mL) |
|---|---|
| Stability/Shelf Life | Bulk: A sample stored at 60°C for 30 days showed no decomposition as indicated by optical rotation. Solution: A 1% solution in water after 24 hours at room temperature showed no decomposition as indicated by optical rotation. |
| Optical Rotation | (c = H20) [a]20D = -22 ± 2 degrees |
| Collision Cross Section | 141.5 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 261.66 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 261.0516336 g/mol |
| Monoisotopic Mass | 261.0516336 g/mol |
| Topological Polar Surface Area | 98.4 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 394 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ancitabine hydrochloride is a hydrochloride salt resulting from the reaction of equimolar amounts of ancitabine and hydrogen chloride. It has a role as an antimetabolite and an antineoplastic agent. It contains an ancitabine(1+).