(+-)-trans-6-n-Propyl-9-oxaergoline hydrochloride

6-propyl-3-oxa-11-aza-6-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene chloride

CAS: 80952-18-7

Molecular Formula	`C16H21ClN2O`
Molecular Weight	292.8 g/mol
Topological Polar Surface Area	29.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	2
Exact Mass	292.13425
Heavy Atoms	20
Complexity	335.0

Chemical Identifiers

CAS Number	80952-18-7
SMILES	`CCC[NH+]1CCOC2C1CC3=CNC4=CC=CC2=C34.[Cl-]`
InChIKey	`PNOZBKNRNVWLEB-UHFFFAOYSA-N`

📖 Product Overview

(+-)-trans-6-n-Propyl-9-oxaergoline hydrochloride (CAS: 80952-18-7) is a chemical compound with molecular formula C16H21ClN2O and molecular weight 292.8 g/mol. Its IUPAC systematic name is 6-propyl-3-oxa-11-aza-6-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),9,12,14-tetraene chloride. Topological Polar Surface Area 29.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 2 Exact Mass 292.13425 Heavy Atoms 20 Complexity 335.0 InChI Key: PNOZBKNRNVWLEB-UHFFFAOYSA-N. SMILES: CCC[NH+]1CCOC2C1CC3=CNC4=CC=CC2=C34.[Cl-].

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