BIAdb THP hydrochloride 3429

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BIAdb THP hydrochloride 3429
Systematic (IUPAC) name
1-[(3,4-dihydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol chloride
Identifiers
CAS number	?
ATC code	?
PubChem	18518
Chemical data
Formula	C₁₆H₁₈ClNO₄
Mol. mass	323.77142
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

N/A

Unknown

*Molecular Weight

323.77142

*Exact Mass

323.092436

*Molecular Formula

C₁₆H₁₈ClNO₄

*IUPAC NAME

1-[(3,4-dihydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-6,7-diol chloride

*Canonical Smiles

C1C[NH2+]C(C2=CC(=C(C=C21)O)O)CC3=CC(=C(C=C3)O)O.[Cl-]

*Isomeric Smiles

N/A

*XLogP

N/A

*Hydrogen bond donor

5

*Hydrogen bond acceptor

5

*Rotational Bond Count

2

*Topological Polar Surface Area

97.5