Thermopsine

Catalog Number	ACM486908
CAS Number	486-90-8
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
Molecular Weight	244.33
Molecular Formula	C15H20N2O
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
Purity	98%+
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
PhysicalState	Powder
Rotatable Bond Count	0
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.

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