Tabersonine

methyl (1R,12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate

CAS: 4429-63-4

Molecular Formula	`C21H24N2O2`
Molecular Weight	336.4 g/mol
LogP	3.4
Topological Polar Surface Area	41.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	336.18378
Heavy Atoms	25
Complexity	669.0

Chemical Identifiers

CAS Number	4429-63-4
SMILES	`CCC12CC(=C3C4(C1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC`
InChIKey	`FNGGIPWAZSFKCN-ACRUOGEOSA-N`

📖 Product Overview

Tabersonine (CAS: 4429-63-4) is a chemical compound with molecular formula C21H24N2O2 and molecular weight 336.4 g/mol. Its IUPAC systematic name is methyl (1R,12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate. LogP 3.4 Topological Polar Surface Area 41.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 336.18378 Heavy Atoms 25 Complexity 669.0 InChI Key: FNGGIPWAZSFKCN-ACRUOGEOSA-N. SMILES: CCC12CC(=C3C4(C1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC.

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