S1P1 agonist 6 hemicalcium

Catalog No. :
ACWBVS252
CAS No. :
2941310-03-6
Molecular Formula :
C50H50CaF6N2O6
Molecular Weight :
929.02

IUPAC Name:calcium 3-(5-((4-cyclopentyl-3-(trifluoromethyl)benzyl)oxy)-3-methyl-1H-indol-2-yl)propanoate

S1P1 agonist 6 hemicalcium structure diagram
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Product Information

Product NameS1P1 agonist 6 hemicalcium
IUPAC Namecalcium 3-(5-((4-cyclopentyl-3-(trifluoromethyl)benzyl)oxy)-3-methyl-1H-indol-2-yl)propanoate
Molecular FormulaC50H50CaF6N2O6
Molecular Weight929.02
SMILESO=C([O-])CCC(N1)=C(C)C2=C1C=CC(OCC3=CC=C(C4CCCC4)C(C(F)(F)F)=C3)=C2.O=C([O-])CCC(N5)=C(C)C6=C5C=CC(OCC7=CC=C(C8CCCC8)C(C(F)(F)F)=C7)=C6.[Ca+2]
InChI KeyYNMQAPDPLSHGDS-UHFFFAOYSA-L
SynonymS1P1 agonist 6 hemicalcium;1H-Indole-2-propanoic acid, 5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-3-methyl-, calcium salt (2:1)
CAS No.2941310-03-6

Synthetic Route by SureRoute

1. ACWBVS252 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACWBVS252 route product structure diagram
    ACWBVS2522941310-03-6
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2. ACWBVS252 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACWBVS252 route product structure diagram
    ACWBVS2522941310-03-6
Inquiry

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