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Chemical structure of EMD 53998

GC72795

EMD 53998

Also known as 5-[1-(3,4-dimethoxybenzoyl)-3,4-dihydro-2H-quinolin-6-yl]-6-methyl-3,6-dihydro-1,3,4-thiadiazin-2-one

EMD 53998 is a cardiotonic agent that increases myocardial contractility as an inhibitor for phosphodiesterase III (PDE III) and a calcium sensitizer

ChemicalCAS120223-04-3MW425.5FormulaC22H23N3O4S
CAS number
120223-04-3
Molecular weight
425.5
Formula
C22H23N3O4S
Solubility
DMSO ： 100 mg/mL (235·02 mM; Need ultrasonic)
InChIKey
IZLRMTJLQCLMKF-UHFFFAOYSA-N
Catalogue number
GC72795
Brand
GLPBIO
Computed properties PubChem CID 187079 · XLogP 3.8 · TPSA 106 Ų · H-bond donors 1
XLogP
3.8
TPSA
106 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30

SMILES CC1C(=NNC(=O)S1)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC(=C(C=C4)OC)OC

Computed descriptors from PubChem (CID 187079), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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