59865-13-3
Product Name:
Cyclosporin A
Formula:
C62H111N11O12
Synonyms:
Antibiotic S 7481F1;Cyclosporin A;Cyclosporin A, Tolypocladium inflatum - CAS 59865-13-3 - Calbiochem;Cyclosporine
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Cyclosporin a appears as white prismatic needles (from acetone) or white powder. (NTP, 1992) |
|---|---|
| Color/Form | Forms white prismatic crystals from acetone |
| Boiling Point | 838.63 |
| Melting Point | 298 to 304 °F (NTP, 1992) |
| Solubility | 27 [ug/mL] (The mean of the results at pH 7.4) |
| LogP | 1.4 |
| Optical Rotation | Optical rotation: -244 degrees @ 20 °C (c = 0.6 in chloroform), - 189 degrees @ 20 °C (c = 0.5 in methanol) |
| Decomposition | When heated to decomposition it emits toxic fumes of /nitrogen oxides/. |
| Caco2 Permeability | -6.05 |
| Dissociation Constants | 13.32±0.70 |
| Collision Cross Section | 350.3 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Chemical Classes | Biological Agents -> Mycotoxins |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H350:Carcinogenicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 1202.6 g/mol |
|---|---|
| XLogP3 | 7.5 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 15 |
| Exact Mass | 1201.84136802 g/mol |
| Monoisotopic Mass | 1201.84136802 g/mol |
| Topological Polar Surface Area | 279 Ų |
| Heavy Atom Count | 85 |
| Formal Charge | 0 |
| Complexity | 2330 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 12 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Cyclosporin a appears as white prismatic needles (from acetone) or white powder. (NTP, 1992)