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Chemical structure of PCA50941

GC32568

PCA50941

Also known as 5-O-(oxan-2-ylmethyl) 3-O-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl] 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

PCA50941 is a 1,4-dihydropyridine derivative, used for treatment for cardiovascular disease

ChemicalCAS136941-85-0MW625.65FormulaC30H31N3O10S
CAS number
136941-85-0
Molecular weight
625.65
Formula
C30H31N3O10S
Solubility
Soluble in DMSO
InChIKey
SOOCCEZHZUEQKC-UHFFFAOYSA-N
Catalogue number
GC32568
Brand
GLPBIO
Computed properties PubChem CID 3081827 · XLogP 3.5 · TPSA 183 Ų · H-bond donors 1
XLogP
3.5
TPSA
183 Ų
H-bond donors
1
H-bond acceptors
11
Rotatable bonds
10
Heavy atoms
44

SMILES CC1=C(C(C(=C(N1)C)C(=O)OCC2CCCCO2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCN4C(=O)C5=CC=CC=C5S4(=O)=O

Computed descriptors from PubChem (CID 3081827), 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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