Amabiline

Catalog Number	ACM17958439
CAS Number	17958-43-9
Structure
Synonyms	(2S,3S)-2,3-Dihydroxy-2-isopropylbutanoic acid [(5S)-1-azabicyclo[3.3.0]oct-3-en-4-yl]methyl ester
Molecular Weight	283.36
InChI	InChI=1S/C15H25NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3/t11-,13-,15-/m0/s1
InChI Key	DRVWTOSBCBKXOR-WHOFXGATSA-N
Purity	95%+
Complexity	407
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	283.17835828
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isomeric SMILES	C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1CCC2)O)O
Monoisotopic Mass	283.17835828
PhysicalState	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	70 Ų

Custom Q&A

What is the chemical name of Amabiline?

The chemical name is (2S,3S)-2,3-Dihydroxy-2-isopropylbutanoic acid [(5S)-1-azabicyclo[3.3.0]oct-3-en-4-yl]methyl ester.

What is another name for Amabiline?

Another name for Amabiline is (+)-Amabiline.

What is the CAS number for Amabiline?

The CAS number for Amabiline is 17958-43-9.

What is the molecular formula of Amabiline?

The molecular formula of Amabiline is C15H25NO4.

What is the predicted boiling point of Amabiline?

The predicted boiling point of Amabiline is 416.8±24.0 °C.

What is the predicted density of Amabiline?

The predicted density of Amabiline is 1.18±0.1 g/cm3.

What is the predicted pka value of Amabiline?

The predicted pka value of Amabiline is 12.59±0.29.

What is the biological activity of (+)-Amabiline?

(+)-Amabiline is an unsaturated pyrrolizidine alkaloid from Cynoglossum amabile with anticholinergic activity against human mAChR receptors.

How is Amabiline obtained, according to the ChEBI definition?

Amabiline is a carboxylic ester obtained by formal condensation of the carboxy group of (2S,3S)-2,3-dihydroxy-2-isopropylbutanoic acid with the hydroxy group of (7aS)-2,3,5,7a-tetrahydropyrrolizin-7-ylmethanol.

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