13-cis-Retinal - CAS 472-86-6
Catalog: |
BB026251 |
Product Name: |
13-cis-Retinal |
CAS: |
472-86-6 |
Synonyms: |
3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal |
IUPAC Name: | (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal |
Description: | 13-cis-Retinal (CAS# 472-86-6) is a useful research chemical compound. |
Molecular Weight: | 284.44 |
Molecular Formula: | C20H28O |
Canonical SMILES: | CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C |
InChI: | InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3 |
InChI Key: | NCYCYZXNIZJOKI-UHFFFAOYSA-N |
Boiling Point: | 421.4 °C at 760 mmHg |
Density: | 0.948 g/cm3 |
Appearance: | Yellow solid |
MDL: | MFCD00074858 |
LogP: | 5.71690 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P332+P317, P362+P364, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111107832-A | Production of retinyl esters | 20170925 |
CN-111107834-A | Biosynthesis of retinoids | 20170925 |
JP-2013170125-A | A pharmaceutical composition for inhibiting fractalkine (CX3CL1) production in the brain, comprising a retinoid as an active ingredient | 20120217 |
CA-2792035-A1 | Compositions and methods for treating or preventing immuno-inflammatory disease | 20100302 |
EP-2542057-A1 | Compositions and methods for treating or preventing immuno-inflammatory disease | 20100302 |
PMID | Publication Date | Title | Journal |
22329764 | 20120906 | Ultrafast photochemistry of light-adapted and dark-adapted bacteriorhodopsin: effects of the initial retinal configuration | The journal of physical chemistry. B |
22634396 | 20120801 | Bovine rod rhodopsin. 1. Bleaching by luminescence in vitro by recombination of radicals from polyunsaturated fatty acids | Free radical biology & medicine |
22547062 | 20120615 | Melanopsin is highly resistant to light and chemical bleaching in vivo | The Journal of biological chemistry |
22066688 | 20111228 | Asymmetric toggling of a natural photoswitch: ultrafast spectroscopy of Anabaena sensory rhodopsin | Journal of the American Chemical Society |
21939636 | 20111201 | Low temperature FTIR spectroscopy provides new insights in the pH-dependent proton pathway of proteorhodopsin | Biochimica et biophysica acta |
Complexity: | 522 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 4 |
Exact Mass: | 284.214015512 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 284.214015512 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.2 |
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