4,R-ajmalicine N-oxide

Catalog Number	ACM41590298
CAS Number	41590-29-8
Synonyms	Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, 4-oxide, (4α,19α)- (9CI)
Molecular Weight	368.4
InChI	InChI=1S/C21H24N2O4/c1-12-16-10-23(25)8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-27-12)21(24)26-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3/t12-,15-,16+,19-,23/m0/s1
InChI Key	FEPWCBNZAPJQDK-PBYQAJJJSA-N
Purity	90%+
Complexity	652
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Exact Mass	368.17360725
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@H]1[C@H]2C[N+]3(CCC4=C([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)NC5=CC=CC=C45)[O-]
Monoisotopic Mass	368.17360725
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	69.4 Ų

Custom Q&A

What is the product name of 4,R-ajmalicine N-oxide?

The product name of 4,R-ajmalicine N-oxide is 4,R-ajmalicine N-oxide.

What are some synonyms for 4,R-ajmalicine N-oxide?

Some synonyms for 4,R-ajmalicine N-oxide include Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, 4-oxide, and Methyl(4S,4aR,13bS,14aS)-4-methyl-4a,5,7,8,13,13b,14,14a-octahydro-4H-indolo[2,3-a]pyrano[3,4-g]quinolizine-1-carboxylate6-oxide.

What is the CAS number for 4,R-ajmalicine N-oxide?

The CAS number for 4,R-ajmalicine N-oxide is 41590-29-8.

What is the molecular formula of 4,R-ajmalicine N-oxide?

The molecular formula of 4,R-ajmalicine N-oxide is C21H24N2O4.

What is the molecular weight of 4,R-ajmalicine N-oxide?

The molecular weight of 4,R-ajmalicine N-oxide is 368.43.

What is the pKa value of 4,R-ajmalicine N-oxide?

The pKa value of 4,R-ajmalicine N-oxide is 15.38±0.60 (Predicted).

How many nitrogen atoms are present in the molecular formula of 4,R-ajmalicine N-oxide?

There are two nitrogen atoms present in the molecular formula of 4,R-ajmalicine N-oxide.

What is the predicted pKa range for 4,R-ajmalicine N-oxide?

The predicted pKa range for 4,R-ajmalicine N-oxide is 15.38±0.60.

What is the predicted pKa significance in relation to the chemical properties of 4,R-ajmalicine N-oxide?

The predicted pKa value is significant as it indicates the acidity or basicity of the compound, which can affect its solubility and reactivity.

How does the molecular structure of 4,R-ajmalicine N-oxide contribute to its chemical properties?

The specific arrangement of atoms in the molecular structure of 4,R-ajmalicine N-oxide determines its physical and chemical properties, such as its reactivity, solubility, and biological activity.

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