BIAdb Lophophorine 2556

BIAdb Lophophorine 2556
Systematic (IUPAC) name
(9S)-4-methoxy-8,9-dimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinoline
Identifiers
CAS number	?
ATC code	?
PubChem	442315
Chemical data
Formula	C₁₃H₁₇NO₃
Mol. mass	235.27898
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

[edit] Description

Lophophora williamsii

Convulsions

*Molecular Weight

235.27898

*Exact Mass

235.120843

*Molecular Formula

C₁₃H₁₇NO₃

*IUPAC NAME

(9S)-4-methoxy-8,9-dimethyl-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isoquinoline

*Canonical Smiles

CC1C2=C3C(=C(C=C2CCN1C)OC)OCO3

*Isomeric Smiles

C[C@H]1C2=C3C(=C(C=C2CCN1C)OC)OCO3

*XLogP

2

*Hydrogen bond donor

0

*Hydrogen bond acceptor

4

*Rotational Bond Count

1

*Topological Polar Surface Area

30.9