-
Name
muldamine
- EINECS
- CAS No. 36069-45-1
- Density 1.09g/cm3
- Solubility
- Melting Point 210.5°C
- Formula C29H47 N O3
- Boiling Point 553.8°Cat760mmHg
- Molecular Weight 457.697
- Flash Point 288.8°C
- Transport Information
- Appearance
- Safety Moderately toxic by ingestion. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 16,28-Secosolanid-5-ene-3,16-diol,16-acetate, (3b,16a,22a)-; Alkaloid Q; Alkaloid Q, from Veratrumcalifornicum; Muldamine; Teinemine 16-acetate
- PSA 58.56000
- LogP 5.82090
Muldamine Chemical Properties
Molecule structure of Muldamine (CAS NO.36069-45-1) :
IUPAC Name: [(3S,8S,9S,10R,13S,14S,16R,17R)-3-hydroxy-10,13-dimethyl-17-[(1R)-1-[(2R,5R)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate
Molecular Weight: 457.68838 g/mol
Molecular Formula: C29H47NO3
Density: 1.09 g/cm3
Boiling Point: 553.8 °C at 760 mmHg
Flash Point: 288.8 °C
Index of Refraction: 1.55
Molar Refractivity: 132.65 cm3
Molar Volume: 416.3 cm3
Polarizability: 52.59*10-24 cm3
Surface Tension: 44.1 dyne/cm
Enthalpy of Vaporization: 95.94 kJ/mol
Vapour Pressure: 1.42E-14 mmHg at 25 °C
XLogP3-AA: 5.7
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 457.355594
MonoIsotopic Mass: 457.355594
Topological Polar Surface Area: 58.6
Heavy Atom Count: 33
Complexity: 794
Defined Atom StereoCenter Count: 11
Canonical SMILES: CC1CCC(NC1)C(C)C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)OC(=O)C
Isomeric SMILES: C[C@@H]1CC[C@@H](NC1)[C@H](C)[C@H]2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)OC(=O)C
InChIKey: ZVYUDNWAHWVPPN-AYUKDRHTSA-N
Muldamine Toxicity Data With Reference
| 1. | orl-ham LDLo:600 mg/kg | JAFCAU Journal of Agricultural and Food Chemistry. 26 (1978),561. |
Muldamine Safety Profile
Moderately toxic by ingestion. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of NOx.
Muldamine Specification
Muldamine (CAS NO.36069-45-1) is also called Alkaloid Q ; Alkaloid Q, from veratrum californicum ; HSDB 3514 ;
Veratraman-3,11-diol, 12,13-dihydro-, 11-acetate, (3beta,11alpha,12beta,13beta)- . Muldamine (CAS NO.36069-45-1) is a phytosterol alkaloid isolated from Veratrum californicum. It is the acetate ester of the piperidine steroid teinemine.
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View