beta-erythroidine hydrochloride

(1S,16R)-16-methoxy-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one chloride

CAS: 596-11-2

Molecular Formula	`C16H20ClNO3`
Molecular Weight	309.79 g/mol
Topological Polar Surface Area	40.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	309.11316
Heavy Atoms	21
Complexity	560.0

Chemical Identifiers

CAS Number	596-11-2
SMILES	`COC1CC23C4=C(CC[NH+]2CC=C3C=C1)COC(=O)C4.[Cl-]`
InChIKey	`PLENFHSJZZDRNT-LINSIKMZSA-N`

📖 Product Overview

beta-erythroidine hydrochloride (CAS: 596-11-2) is a chemical compound with molecular formula C16H20ClNO3 and molecular weight 309.79 g/mol. Its IUPAC systematic name is (1S,16R)-16-methoxy-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one chloride. Topological Polar Surface Area 40.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 309.11316 Heavy Atoms 21 Complexity 560.0 InChI Key: PLENFHSJZZDRNT-LINSIKMZSA-N. SMILES: COC1CC23C4=C(CC[NH+]2CC=C3C=C1)COC(=O)C4.[Cl-].

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