BIAdb Higenamine 2274

BIAdb Higenamine 2274
Systematic (IUPAC) name
(1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Identifiers
CAS number	?
ATC code	?
PubChem	440988
Chemical data
Formula	C₁₆H₁₇NO₃
Mol. mass	271.31108
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Aconitum japonicum

Cardiac stimulant

*Molecular Weight

271.31108

*Exact Mass

271.120843

*Molecular Formula

C₁₆H₁₇NO₃

*IUPAC NAME

(1R)-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

*Canonical Smiles

C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O

*Isomeric Smiles

C1CN[C@@H](C2=CC(=C(C=C21)O)O)CC3=CC=C(C=C3)O

*XLogP

2.2

*Hydrogen bond donor

4

*Hydrogen bond acceptor

4

*Rotational Bond Count

2

*Topological Polar Surface Area

72.7