Echinatine

Catalog Number	ACM480831
CAS Number	480-83-1
Synonyms	(2S,3S)-2,3-Dihydroxy-2-isopropylbutyric acid [(5R,6S)-6-hydroxy-1-azabicyclo[3.3.0]oct-3-en-4-yl]methyl
Molecular Weight	299.36
InChI	InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3/t10-,12-,13+,15-/m0/s1
InChI Key	SFVVQRJOGUKCEG-DNVSUFBTSA-N
Purity	95%+
Complexity	436
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	299.1732729
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isomeric SMILES	C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)O)O
Monoisotopic Mass	299.1732729
PhysicalState	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	90.2 Ų

Custom Q&A

What is the chemical name of Echinatine?

The chemical name of Echinatine is Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2,3,5,7a-tetrahydro- 1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, [1S-[1alpha,7(2R*,3R*),7aal pha]]-.

What are some synonyms of Echinatine?

Some synonyms of Echinatine are Echinatine, Echitine, and Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester, (2S,3S)-.

What is the CAS number of Echinatine?

The CAS number of Echinatine is 480-83-1.

What is the molecular formula of Echinatine?

The molecular formula of Echinatine is C15H25NO5.

What is the molecular weight of Echinatine?

The molecular weight of Echinatine is 299.36.

What is the predicted boiling point of Echinatine?

The predicted boiling point of Echinatine is 463.3±45.0 °C.

What is the predicted density of Echinatine?

The predicted density of Echinatine is 1.26±0.1 g/cm3.

What is the predicted pka of Echinatine?

The predicted pka of Echinatine is 12.59±0.29.

Where is Echinatine commonly found?

Echinatine is commonly found in some medicinal herb preparations such as Asmachilca.

Are pyrrolizidine alkaloids like Echinatine safe for human consumption?

Pyrrolizidine alkaloids like Echinatine are generally toxic in regards to human consumption.

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