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Rimegepant Impurity 32

CAT: 1299-RM-R102032-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R102032-01Size:10 mg
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CAS Number
1190363-45-1
Synonyms
(R) -9- ((triisopropylsilyl) oxy) -6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one
Molecular Formula
C19H31NO2Si
Molecular Weight
333.55
Target Alternative Name
Rimegepant
Product Name Synonym
(R) -9- ((triisopropylsilyl) oxy) -6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one

Chemical Information

(R)-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one
CAS Number1190363-45-1
PubChem CID57911448
IUPAC Name(9R)-9-tri(propan-2-yl)silyloxy-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one
Molecular FormulaC19H31NO2Si
Molecular Weight333.5
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity386
SMILES
CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1CCCC(=O)C2=C1N=CC=C2
InChI
InChI=1S/C19H31NO2Si/c1-13(2)23(14(3)4,15(5)6)22-18-11-7-10-17(21)16-9-8-12-20-19(16)18/h8-9,12-15,18H,7,10-11H2,1-6H3/t18-/m1/s1
InChIKey
LZTSMPYESKABAS-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of (R)-9-(triisopropylsilyloxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-one
CAS: 1190363-45-1
CID: 57911448
Formula: C19H31NO2Si
MW: 333.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight333.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass333.212405766
Monoisotopic Mass333.212405766
Topological Polar Surface Area39.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity386
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes