(+-)-trans-9-Oxaergoline hydrochloride

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

CAS: 80952-17-6

Molecular Formula	`C13H15ClN2O`
Molecular Weight	250.72 g/mol
Topological Polar Surface Area	41.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	2
Rotatable Bonds	0
Exact Mass	250.0873
Heavy Atoms	17
Complexity	283.0

Chemical Identifiers

CAS Number	80952-17-6
SMILES	`C1COC2C([NH2+]1)CC3=CNC4=CC=CC2=C34.[Cl-]`
InChIKey	`PTUOLUUBVUGVEC-UHFFFAOYSA-N`

📖 Product Overview

(+-)-trans-9-Oxaergoline hydrochloride (CAS: 80952-17-6) is a chemical compound with molecular formula C13H15ClN2O and molecular weight 250.72 g/mol. Its IUPAC systematic name is 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 41.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 2 Rotatable Bonds 0 Exact Mass 250.0873 Heavy Atoms 17 Complexity 283.0 InChI Key: PTUOLUUBVUGVEC-UHFFFAOYSA-N. SMILES: C1COC2C([NH2+]1)CC3=CNC4=CC=CC2=C34.[Cl-].

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