Vallesamine N-oxide

Catalog Number	ACM126594738
CAS Number	126594-73-8
Synonyms	(5S)-4-[(E)-Ethylidene]-1,3,4,5,6,7-hexahydro-6-hydroxymethyl-6β-methoxycarbonyl-2α,5-ethano-2H-azocino[4,3-b]indole 2-oxide
Molecular Weight	356.4
InChI	InChI=1S/C20H24N2O4/c1-3-13-10-22(25)9-8-16(13)20(12-23,19(24)26-2)18-15(11-22)14-6-4-5-7-17(14)21-18/h3-7,16,21,23H,8-12H2,1-2H3/b13-3-/t16-,20-,22/m0/s1
InChI Key	CWLUMLLPZBYHMO-QJWCMHSQSA-N
Purity	95%+
Complexity	609
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	356.17360725
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	C/C=C\1/C[N+]2(CC[C@@H]1[C@](C3=C(C2)C4=CC=CC=C4N3)(CO)C(=O)OC)[O-]
Monoisotopic Mass	356.17360725
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	80.4 Ų

Custom Q&A

What is the chemical name of Vallesamine N-oxide?

The chemical name of Vallesamine N-oxide is (5S)-4-[(E)-Ethylidene]-1,3,4,5,6,7-hexahydro-6-hydroxymethyl-6β-methoxycarbonyl-2α,5-ethano-2H-azocino[4,3-b]indole 2-oxide.

What are some synonyms for Vallesamine N-oxide?

Some synonyms for Vallesamine N-oxide include Vallesamine Nb-oxide and 2,5-Ethano-2H-azocino[4,3-b]indole-6-carboxylic acid, 4-ethylidene-1,3,4,5,6,7-hexahydro-6-(hydroxymethyl)-, methyl ester, 2-oxide.

What is the CAS number for Vallesamine N-oxide?

The CAS number for Vallesamine N-oxide is 126594-73-8.

What is the molecular formula of Vallesamine N-oxide?

The molecular formula of Vallesamine N-oxide is C20H24N2O4.

What is the molecular weight of Vallesamine N-oxide?

The molecular weight of Vallesamine N-oxide is 356.42.

In what forms is Vallesamine N-oxide soluble?

Vallesamine N-oxide is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

What is the physical form of Vallesamine N-oxide?

Vallesamine N-oxide is in powder form.

What is the predicted pka value of Vallesamine N-oxide?

The predicted pka value of Vallesamine N-oxide is 14.40±0.10.

What is the structure of Vallesamine N-oxide?

The structure of Vallesamine N-oxide has 2α,5-ethano-2H-azocino[4,3-b]indole 2-oxide moiety with various functional groups attached.

What is another name for Vallesamine N-oxide?

Another name for Vallesamine N-oxide is Methyl(12S,13S,14E)-14-ethylidene-12-(hydroxymethyl)-1,10-diazatetracyclo[11.2.2.0sup3,11sup.0sup4,9sup]heptadeca-3(11),4,6,8-tetraene-12-carboxylate1-oxide.

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