Reserpiline oxalate structure

Reserpiline oxalate

methyl (1R,15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;oxalic acid

CAS: 20686-18-4
Molecular Formula C25H30N2O9
Molecular Weight 502.5 g/mol
Topological Polar Surface Area 148.0 A2
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 10
Rotatable Bonds 5
Exact Mass 502.19513
Heavy Atoms 36
Complexity 771.0

Chemical Identifiers

CAS Number 20686-18-4
SMILES CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC.C(=O)(C(=O)O)O
InChIKey GEJPAORKHGYXRB-QMFIGXPHSA-N

📖 Product Overview

Reserpiline oxalate (CAS: 20686-18-4) is a chemical compound with molecular formula C25H30N2O9 and molecular weight 502.5 g/mol. Its IUPAC systematic name is methyl (1R,15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate;oxalic acid. Topological Polar Surface Area 148.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 5 Exact Mass 502.19513 Heavy Atoms 36 Complexity 771.0 InChI Key: GEJPAORKHGYXRB-QMFIGXPHSA-N. SMILES: CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC.C(=O)(C(=O)O)O.

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