Rivaroxaban Impurity 92

CAT: 1299-RM-R210292-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-R210292-01Size:10 mg

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CAS Number

161596-47-0

Synonyms

(S) -2- (oxiran-2-ylmethyl) isoindoline-1,3-dione

Molecular Formula

C11H9NO3

Molecular Weight

203.19

Target Alternative Name

Rivaroxaban

Product Name Synonym

(S) -2- (oxiran-2-ylmethyl) isoindoline-1,3-dione

Chemical Information

(S)-(+)-N-(2,3-Epoxypropyl)phthalimide

CAS Number	161596-47-0
PubChem CID	719412
IUPAC Name	2-[[(2S)-oxiran-2-yl]methyl]isoindole-1,3-dione
Molecular Formula	C11H9NO3
Molecular Weight	203.19
XLogP	1.2
Topological Polar Surface Area	49.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	291

SMILES

C1[C@@H](O1)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C11H9NO3/c13-10-8-3-1-2-4-9(8)11(14)12(10)5-7-6-15-7/h1-4,7H,5-6H2/t7-/m0/s1

InChIKey

DUILGEYLVHGSEE-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 161596-47-0

CID: 719412

Formula: C11H9NO3

MW: 203.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.19
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	203.058243149
Monoisotopic Mass	203.058243149
Topological Polar Surface Area	49.9 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	291
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes