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Rimegepant Impurity 10

CAT: 1299-RM-R102010-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R102010-01Size:10 mg
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CAS Number
1452167-10-0
Synonyms
(8'R) -7-fluoro-8'- ((triisopropylsilyl) oxy) -7',8'-dihydro-3H,6'H-spiro[benzofuran-2,5'-quinolin]-3-one
Molecular Formula
C25H32FNO3Si
Molecular Weight
441.62
Target Alternative Name
Rimegepant
Product Name Synonym
(8'R) -7-fluoro-8'- ((triisopropylsilyl) oxy) -7',8'-dihydro-3H,6'H-spiro[benzofuran-2,5'-quinolin]-3-one

Chemical Information

Rimegepant Impurity 113
CAS Number1452167-10-0
PubChem CID176486788
IUPAC Name(8'R)-7-fluoro-8'-tri(propan-2-yl)silyloxyspiro[1-benzofuran-2,5'-7,8-dihydro-6H-quinoline]-3-one
Molecular FormulaC25H32FNO3Si
Molecular Weight441.6
Topological Polar Surface Area48.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity649
SMILES
CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1CCC2(C3=C1N=CC=C3)C(=O)C4=C(O2)C(=CC=C4)F
InChI
InChI=1S/C25H32FNO3Si/c1-15(2)31(16(3)4,17(5)6)30-21-12-13-25(19-10-8-14-27-22(19)21)24(28)18-9-7-11-20(26)23(18)29-25/h7-11,14-17,21H,12-13H2,1-6H3/t21-,25?/m1/s1
InChIKey
JGXYOKLGLBSDRY-JGKWMGOWSA-N
Chemical Structure
2D Structure
2D structure of Rimegepant Impurity 113
CAS: 1452167-10-0
CID: 176486788
Formula: C25H32FNO3Si
MW: 441.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass441.21354858
Monoisotopic Mass441.21354858
Topological Polar Surface Area48.4 Ų
Heavy Atom Count31
Formal Charge0
Complexity649
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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