(R) -Stiripentol

CAT: 0024-sc-474563ASize: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-474563ASize:100 mg

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CAS Number

144017-65-2

Chemical Information

Stiripentol, (+)-

CAS Number	144017-65-2
PubChem CID	38988294
IUPAC Name	(E,3R)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-ol
Molecular Formula	C14H18O3
Molecular Weight	234.29
XLogP	3.6
Topological Polar Surface Area	38.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	280

SMILES

CC(C)(C)[C@@H](/C=C/C1=CC2=C(C=C1)OCO2)O

InChI

InChI=1S/C14H18O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8,13,15H,9H2,1-3H3/b7-5+/t13-/m1/s1

InChIKey

IBLNKMRFIPWSOY-VUDGCMKMSA-N

Chemical Structure

2D Structure

CAS: 144017-65-2

CID: 38988294

Formula: C14H18O3

MW: 234.29

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.29
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	234.125594432
Monoisotopic Mass	234.125594432
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	280
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-208402	Stiripentol
sc-472928	(S) -Stiripentol
sc-220134	Stiripentol-d9
sc-472997	(S) -Stiripentol-d9
sc-210062	4-Hydroxy Stiripentol
sc-216867	4-Hydroxy Stiripentol-d9
sc-488650	4-Hydroxy stiripentol-13CD3
sc-481137	(R, R, R) -Aprepitant
sc-487379	(R, R, R) -Triglycidyl Isocyanurate
sc-215831A	(S, R, R, R) -Orlistat

Catalog	Name
289185-01	Stiripentol