PMSD

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PMSD
Systematic (IUPAC) name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;[(8R,9S,10R,13S,14S)- 10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Identifiers
CAS number	?
ATC code	?
PubChem	83890
ChemSpider	75700
Chemical data
Formula	C39H49NO9S
Mol. mass	707.87266
SMILES	eMolecules & PubChem
Synonyms	Papaverin-3-monosolfato del deidroepiandrosterone
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

Contents 1 Description 2 General Properties 3 Toxicity 4 External Links

[edit] Description

[edit] General Properties

*Molecular Weight

707.87266

*Molecular Formula

C₃₉H₄₉NO₉S

*IUPAC NAME

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;[(8R,9S,10R,13S,14S)- 10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate

*Canonical Smiles

CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C.COC1=C(C=C(C=C1) CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC

*Isomeric Smiles

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3 (CCC(C4)OS(=O)(=O)O)C.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC

*XLogP

N/A

*Topological Polar Surface Area

131

[edit] Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source

mouse LD50 intraperitoneal 757mg/kg (757mg/kg) Bollettino Chimico Farmaceutico. Vol. 102, Pg. 308, 1963.

[edit] External Links

• Pubchem

Link to BIAdb Database