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Chemical structure of Tematropium (CDDD3602)

GC31265

Tematropium (CDDD3602)

Also known as 1-O-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 3-O-ethyl 2-phenylpropanedioate;methyl sulfate

Tematropium (CDDD3602) (CDDD3602) is a soft anticholinergics

ChemicalCAS113932-41-5MW457.54FormulaC21H31NO8S
CAS number
113932-41-5
Molecular weight
457.54
Formula
C21H31NO8S
Solubility
DMSO : 250 mg/mL (546·40 mM; Need ultrasonic)
InChIKey
YLMCBOIUJONUGH-UHFFFAOYSA-M
Catalogue number
GC31265
Brand
GLPBIO
Computed properties PubChem CID 60616 · TPSA 127 Ų · H-bond donors 0 · H-bond acceptors 8
TPSA
127 Ų
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
31

SMILES CCOC(=O)C(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)[N+]3(C)C.COS(=O)(=O)[O-]

Computed descriptors from PubChem (CID 60616), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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