BIAdb Gigantine 2183

BIAdb Gigantine 2183
Systematic (IUPAC) name
(1S)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-ol
Identifiers
CAS number	?
ATC code	?
PubChem	442237
Chemical data
Formula	C₁₃H₁₉NO₃
Mol. mass	237.29486
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Carnegiea gigantea

Hallucinogenic

*Molecular Weight

237.29486

*Exact Mass

237.136493

*Molecular Formula

C₁₃H₁₉NO₃

*IUPAC NAME

(1S)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-5-ol

*Canonical Smiles

CC1C2=CC(=C(C(=C2CCN1C)O)OC)OC

*Isomeric Smiles

C[C@H]1C2=CC(=C(C(=C2CCN1C)O)OC)OC

*XLogP

1.8

*Hydrogen bond donor

1

*Hydrogen bond acceptor

4

*Rotational Bond Count

2

*Topological Polar Surface Area

41.9