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Chemical structure of MRS 1845

GC11683

MRS 1845

Also known as 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-prop-2-ynyl-4H-pyridine-3,5-dicarboxylate

store-operated Ca2+ channels blocker

ChemicalCAS544478-19-5MW398.41FormulaC21H22N2O6
CAS number
544478-19-5
Molecular weight
398.41
Formula
C21H22N2O6
Solubility
＜3·98mg/ml in ethanol; ＜3·98mg/ml in DMSO
InChIKey
BITHABUTZRAUGT-UHFFFAOYSA-N
Catalogue number
GC11683
Brand
GLPBIO
Computed properties PubChem CID 11538542 · XLogP 3.1 · TPSA 102 Ų · H-bond donors 0
XLogP
3.1
TPSA
102 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
29

SMILES CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)CC#C)C

Computed descriptors from PubChem (CID 11538542), 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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