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Chemical structure of Semotiadil recemate fumarate

GC32539

Semotiadil recemate fumarate

Also known as 2-[2-[3-[2-(1,3-benzodioxol-5-yloxy)ethyl-methylamino]propoxy]-5-methoxyphenyl]-4-methyl-1,4-benzothiazin-3-one;(E)-but-2-enedioic acid

Semotiadil recemate fumarate is the recemate of Semotiadil fumarate

ChemicalCAS123388-25-0MW652.71FormulaC33H36N2O10S
CAS number
123388-25-0
Molecular weight
652.71
Formula
C33H36N2O10S
Solubility
Soluble in DMSO
InChIKey
DIEJEELGDWGUCV-WLHGVMLRSA-N
Catalogue number
GC32539
Brand
GLPBIO
Computed properties PubChem CID 10078027 · TPSA 170 Ų · H-bond donors 2 · H-bond acceptors 12
TPSA
170 Ų
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
13
Heavy atoms
46

SMILES CN1C2=CC=CC=C2SC(C1=O)C3=C(C=CC(=C3)OC)OCCCN(C)CCOC4=CC5=C(C=C4)OCO5.C(=C/C(=O)O)\C(=O)O

Computed descriptors from PubChem (CID 10078027), 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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