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Catalog Number | ACM467776 |
CAS Number | 467-77-6 |
Synonyms | Coronardine |
Molecular Weight | 338.4 |
InChI | InChI=1S/C21H26N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,13-14,19,22H,3,8-12H2,1-2H3/t13-,14+,19+,21-/m1/s1 |
InChI Key | NVVDQMVGALBDGE-PZXGUROGSA-N |
Purity | 90%+ |
Complexity | 552 |
Covalently-Bonded Unit Count | 1 |
Defined Atom Stereocenter Count | 4 |
Exact Mass | 338.199428076 |
Heavy Atom Count | 25 |
Hydrogen Bond Acceptor Count | 3 |
Hydrogen Bond Donor Count | 1 |
Isomeric SMILES | CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC |
Monoisotopic Mass | 338.199428076 |
PhysicalState | Powder |
Rotatable Bond Count | 3 |
Topological Polar Surface Area | 45.3 Ų |
What is the chemical name of the compound referred to as methyl ibogamine-18-carboxylate?
The chemical name of the compound is Ibogamine-18-carboxylic Acid Methyl Ester.
What is the CAS number for methyl ibogamine-18-carboxylate?
The CAS number is 467-77-6.
What is the molecular formula of methyl ibogamine-18-carboxylate?
The molecular formula is C21H26N2O2.
What is the melting point of methyl ibogamine-18-carboxylate?
The melting point is 92-93 °C.
What is the boiling point of methyl ibogamine-18-carboxylate?
The predicted boiling point is 488.1±45.0 °C.
What is the storage temperature recommended for methyl ibogamine-18-carboxylate?
The recommended storage temperature is 4°C, protect from light.
What is the biological activity of coronaridine, a compound related to methyl ibogamine-18-carboxylate?
Coronaridine inhibits the wnt signaling pathway by decreasing β-catenin expression.
What are the uses of Ibogamine-18-carboxylic Acid Methyl Ester in research?
It is used in the biosynthesis of anti-addiction agent from the iboga plant.
What role does coronaridine have as a compound?
It has a role as an antileishmanial agent, an antineoplastic agent, an apoptosis inducer, and a plant metabolite.
What is the pKa value of methyl ibogamine-18-carboxylate?
The pKa value is predicted to be 16±0.60.
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