Benzoylhypaconine

Catalog Number	ACM63238664
CAS Number	63238-66-4
Structure
Synonyms	Deacetylhypaconitine
Molecular Weight	573.7
InChI	InChI=1S/C31H43NO9/c1-32-14-28(15-37-2)12-11-18(38-3)30-17-13-29(35)25(41-27(34)16-9-7-6-8-10-16)19(17)31(36,24(33)26(29)40-5)20(23(30)32)21(39-4)22(28)30/h6-10,17-26,33,35-36H,11-15H2,1-5H3/t17-,18,19-,20,21,22-,23,24+,25-,26+,28+,29-,30,31-/m1/s1
InChI Key	MDFCJNFOINXVSU-JSRYRGFVSA-N
Purity	95%+
Complexity	1050
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Exact Mass	573.29378195
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	3
Isomeric SMILES	CN1C[C@@]2(CCC(C34[C@@H]2C(C(C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)O)OC)OC)COC
Monoisotopic Mass	573.29378195
PhysicalState	Powder
Rotatable Bond Count	8
Topological Polar Surface Area	127 Ų

Custom Q&A

What is another name for Benzoylhypacoitine?

Another name for Benzoylhypacoitine is Benzoylhypaconine.

What is the molecular formula of Benzoylhypacoitine?

The molecular formula of Benzoylhypacoitine is C31H43NO9.

What is the boiling point of Benzoylhypacoitine?

The boiling point of Benzoylhypacoitine is predicted to be 663.6±55.0 °C.

What is the density of Benzoylhypacoitine at 20 ºC and 760 Torr?

The density of Benzoylhypacoitine at 20 ºC and 760 Torr is 1.37±0.1 g/cm3.

What is the solubility of Benzoylhypacoitine in DMF, DMSO, and Ethanol?

Benzoylhypacoitine is soluble in DMF (30.0 mg/mL), DMSO (30.0 mg/mL), and Ethanol (30.0 mg/mL).

In what form does Benzoylhypacoitine exist?

Benzoylhypacoitine exists in the form of a solid.

What is the predicted pka value for Benzoylhypacoitine?

The predicted pka value for Benzoylhypacoitine is 12.07±0.70.

What safety statements are associated with Benzoylhypacoitine?

Safety statements 24/25 are associated with Benzoylhypacoitine.

What is the primary usage of Benzoylhypacoitine?

Benzoylhypacoitine is a derivative of hypaconine that acts as a β2-adrenergic receptor agonist, which may be useful in the treatment of heart failure.

What are the product categories that Benzoylhypacoitine falls under?

Benzoylhypacoitine falls under the categories of chemical reagent, pharmaceutical intermediate, phytochemical, reference standards from Chinese medicinal herbs (TCM), and standardized herbal extract.

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