Picralinal

Catalog Number	ACM20045061
CAS Number	20045-06-1
Synonyms	(16R)-2α,5α-Epoxy-16-formyl-1,2-dihydroakuammilan-17-oic acid methyl ester
Molecular Weight	366.4
InChI	InChI=1S/C21H22N2O4/c1-3-12-10-23-16-8-14(12)19(11-24,18(25)26-2)20-9-17(23)27-21(16,20)22-15-7-5-4-6-13(15)20/h3-7,11,14,16-17,22H,8-10H2,1-2H3/b12-3-/t14-,16-,17-,19-,20-,21-/m0/s1
InChI Key	RHBAENOZUZWALZ-GGZNVOGHSA-N
Purity	95%+
Complexity	767
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Exact Mass	366.15795719
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isomeric SMILES	C/C=C\1/CN2[C@H]3C[C@@H]1[C@@]([C@@]45[C@@]3(NC6=CC=CC=C64)O[C@H]2C5)(C=O)C(=O)OC
Monoisotopic Mass	366.15795719
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	67.9 Ų

Custom Q&A

What is the chemical name of Picralinal?

The chemical name of Picralinal is (16R)-2α,5α-Epoxy-16-formyl-1,2-dihydroakuammilan-17-oic acid methyl ester.

What are some synonyms for Picralinal?

Some synonyms for Picralinal are 2H,12H-6,12a-Epoxy-2,7a-methanoindolo[2,3-a]quinolizine-14-carboxylic acid, methyl ester and Methyl(2β,5β,15α,16ξ,19Z)-17-oxo-1,2-dihydro-2,5-epoxyakuammilan-16-carboxylate.

What is the CAS number for Picralinal?

The CAS number for Picralinal is 20045-06-1.

What is the molecular formula of Picralinal?

The molecular formula of Picralinal is C21H22N2O4.

What is the melting point of Picralinal?

The melting point of Picralinal is 169-170 °C.

In what solvents is Picralinal soluble?

Picralinal is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, and Acetone.

What is the form of Picralinal?

Picralinal is in powder form.

What are some predicted chemical properties of Picralinal?

Some predicted chemical properties of Picralinal include a boiling point of 538.6±50.0 °C and a density of 1.42±0.1 g/cm3.

What are the usage and synthesis of Picralinal?

Picralinal has anti-inflammatory and analgesic effects, targeting COX and LOX.

What is the predicted pKa of Picralinal?

The predicted pKa of Picralinal is 3.42±0.40.

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