e-Drug3D

466

SCOPOLAMINE

INN
SCOPOLAMINE

cas 51-34-3

CLASS

METABOLISM
ANTISPASMODIC
ANTICHOLINERGIC
ANTIMUSCARINICS
MYDRIATICS
A BELLADONNA ALKALOID
PREVENTION OF NAUSEA
NONSELECTIVE MUSCARINIC RECEPTOR ANTAGONIST

ROUTE (list)

TRANSDERMAL

NATURAL MOLECULE (link)

ATC code

A04AD01
N05CM05
S01FA02
A04AD51

PK parameters

F 29.4 PERCENT
Tmax 4 HOUR
VD 201.5 LITER (65 KILOGRAM)
Cl 62.4 LITER / HOUR (65 KILOGRAM)
PPB 10 PERCENT (PMID9725548)
t1/2 9.5 HOUR

Target

TARGET MUSCARINIC ACETYLCHOLINE RECEPTOR

PDB
8CVD (STRUCTURE OF HYOSCYAMINE 6-BETA HYDROXYLASE IN COMPLEX WITH IRON, SUCCINATE, AND SCOPOLAMINE)

Ligand code = OW0 (link to the list of PDB complexes)

Download experimental 3D coordinates of OW0 with added hydrogens

DrugCentral

Muscarinic acetylcholine receptor M1 UNIPROT P11229 CHRM1

Download SDF file

Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester, (.alpha.S)-

Formula:
C17H21NO4

Calculated chemical properties:

MW 303.35
NB_atoms 22
XLogP 0.92
PSA 54.46
NB_HD 1
NB_HA 5
fsp3 0.59
Lipinski(0=no;1=yes) 1

FDA
NDA 017874 (pdf not found) INN (SCOPOLAMINE) TRANSDERM SCOP (BAXTER HLTHCARE CORP) APPROVAL= AP YEAR= 1979
NDA 078830 (pdf not found) INN (SCOPOLAMINE) SCOPOLAMINE (PADAGIS US) APPROVAL= AP YEAR= 2015
NDA 203753 (pdf not found) INN (SCOPOLAMINE) SCOPOLAMINE (MYLAN TECHNOLOGIES) APPROVAL= AP YEAR= 2019
NDA 212342 (pdf not found) INN (SCOPOLAMINE) SCOPOLAMINE (RICONPHARMA LLC) APPROVAL= AP YEAR= 2020
NDA 208769 (pdf not found) INN (SCOPOLAMINE) SCOPOLAMINE (ACTAVIS LABS UT INC) APPROVAL= AP YEAR= 2022
NDA 215329 (pdf not found) INN (SCOPOLAMINE) SCOPOLAMINE (RHODES PHARMS) APPROVAL= AP YEAR= 2024
NDA 217893 (pdf not found) INN (SCOPOLAMINE) SCOPOLAMINE (ZYDUS PHARMS) APPROVAL= AP YEAR= 2024
NDA 218384 (pdf not found) INN (SCOPOLAMINE) SCOPOLAMINE (AMNEALS PHARMS) APPROVAL= AP YEAR= 2025