Thermopsine

• CAS: 486-90-8
• Catalog Number: ACM486908
• Category: Inhibitors
• Molecular Weight: 244.33
• Molecular Formula: C15H20N2O
• Description: Thermopsine is a quinolizidine alkaloid isolated from the fruits and pods and stem bark of Sophora velutina subsp. Thermopsine has antibacterial activity.
• Synonyms: (7R,14R,14aS)-1,3,4,6,7,13,14,14a-Octahydro-7,14-methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one
• Canonical SMILES: O=C1C=CC=C2N1C[C@]3([H])[C@@](CCCC4)([H])N4C[C@@]2([H])C3
• InChI: InChI=1S/C15H20N2O/c18-15-6-3-5-14-11-8-12(10-17(14)15)13-4-1-2-7-16(13)9-11/h3,5-6,11-13H,1-2,4,7-10H2/t11-,12-,13+/m1/s1
• InChI Key: FQEQMASDZFXSJI-UPJWGTAASA-N
• Melting Point: 205-206 °C
• Appearance: Solid
• Storage: Powder-20°C, 3 years; In solvent-80°C. 6 months; -20°C, 1 month.
• Complexity: 440
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 3
• Exact Mass: 244.157563266
• Heavy Atom Count: 18
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: C1CCN2C[C@H]3C[C@@H]([C@@H]2C1)CN4C3=CC=CC4=O
• Monoisotopic Mass: 244.157563266
• Physical State: Powder
• Rotatable Bond Count: 0
• Shipping: Can be shipped at room temperature, where not in use may vary.
• Source: PlantsLeguminosaeThermopsis lanceolala R.Br.
• Topological Polar Surface Area: 23.6 Ų

Custom Q&A

What is the predicted pka value of Thermopsine?

The predicted pka value is 9.71±0.20.

What are the synonyms of Thermopsine?

The synonyms mentioned are: 7,14-Methano-4H,6H-dipyrido(1,2-A:1',2'-E)(1,5)diazocin-4-one, 7,7A,8,9,10,11,13,14-octahydro-, (7S-(7A,7aalpha,14alpha))-; 7,14-Methano-2H,11H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one, 1,3,4,6,7,13,14,14a-octahydro-, (7S,14S,14aR)-

What is the CAS number of Thermopsine?

The CAS number is 53584-33-1.

What is the molecular formula of Thermopsine?

The molecular formula is C15H20N2O.

What is the molecular weight of Thermopsine?

The molecular weight is 244.33.

What is the melting point of Thermopsine?

The melting point is 207-209 °C (sublm).

What is the predicted boiling point of Thermopsine?

The predicted boiling point is 455.6±34.0 °C.

What is the density of Thermopsine?

The density is 1.257 g/cm3.