3H,6H-[1,3]Benzodioxolo[4',5',6':4,5][2]benzopyrano[1,8,7-hij]isoquinolinium,4,5,5a,11-tetrahydro-1-methoxy-5,5-dimethyl-, chloride (1:1), (5aS)-

Modify Date: 2025-10-15 14:00:35

3H,6H-[1,3]Benzodioxolo[4',5',6':4,5][2]benzopyrano[1,8,7-hij]isoquinolinium,4,5,5a,11-tetrahydro-1-methoxy-5,5-dimethyl-, chloride (1:1), (5aS)- structure	Common Name	3H,6H-[1,3]Benzodioxolo[4',5',6':4,5][2]benzopyrano[1,8,7-hij]isoquinolinium,4,5,5a,11-tetrahydro-1-methoxy-5,5-dimethyl-, chloride (1:1), (5aS)-
	CAS Number	39027-97-9	Molecular Weight	387.85700
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₁H₂₂ClNO₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	thalphenine chloride

Molecular Formula	C₂₁H₂₂ClNO₄
Molecular Weight	387.85700
Exact Mass	387.12400
PSA	36.92000
LogP	0.17580
InChIKey	YTXCQFDRRJSMRN-UHFFFAOYSA-M
SMILES	COc1cc2c3c4c1OCc1c5c(cc(c1-4)CC3[N+](C)(C)CC2)OCO5.[Cl-]

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