DTXSID50968520

hydrogen sulfate;(2S,10S)-7-methoxy-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene

CAS: 53757-95-2

Molecular Formula	`C16H23NO5S`
Molecular Weight	341.4 g/mol
Topological Polar Surface Area	99.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	1
Exact Mass	341.1297
Heavy Atoms	23
Complexity	407.0

Chemical Identifiers

CAS Number	53757-95-2
SMILES	`C[NH+]1C2CCC1C3CC4=C(C3C2)C=C(C=C4)OC.OS(=O)(=O)[O-]`
InChIKey	`KXNJEWHEKVTDQO-HOTLZPRUSA-N`

📖 Product Overview

DTXSID50968520 (CAS: 53757-95-2) is a chemical compound with molecular formula C16H23NO5S and molecular weight 341.4 g/mol. Its IUPAC systematic name is hydrogen sulfate;(2S,10S)-7-methoxy-15-methyl-15-azoniatetracyclo[10.2.1.02,10.04,9]pentadeca-4(9),5,7-triene. Topological Polar Surface Area 99.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 1 Exact Mass 341.1297 Heavy Atoms 23 Complexity 407.0 InChI Key: KXNJEWHEKVTDQO-HOTLZPRUSA-N. SMILES: C[NH+]1C2CCC1C3CC4=C(C3C2)C=C(C=C4)OC.OS(=O)(=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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