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Ropivacaine Impurity 41

CAT: 1299-RM-R162241-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R162241-01Size:10 mg
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CAS Number
1817657-89-8
Synonyms
(6aS,12aS) -octahydrodipyrido[1,2-a:1',2'-d]pyrazine-6,12 (2H,6aH) -dione
Molecular Formula
C12H18N2O2
Molecular Weight
222.29
Target Alternative Name
Ropivacaine
Product Name Synonym
(6aS,12aS) -octahydrodipyrido[1,2-a:1',2'-d]pyrazine-6,12 (2H,6aH) -dione

Chemical Information

(6aS,12aS)-Octahydrodipyrido[1,2-a:1',2'-d]pyrazine-6,12(2H,6aH)-dione
CAS Number1817657-89-8
PubChem CID97436027
IUPAC Name(3S,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
Molecular FormulaC12H18N2O2
Molecular Weight222.28
XLogP0.8
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity297
SMILES
C1CCN2[C@@H](C1)C(=O)N3CCCC[C@H]3C2=O
InChI
InChI=1S/C12H18N2O2/c15-11-9-5-1-3-7-13(9)12(16)10-6-2-4-8-14(10)11/h9-10H,1-8H2/t9-,10-/m0/s1
InChIKey
DVUOUKHMQDFLFQ-UWVGGRQHSA-N
Chemical Structure
2D Structure
2D structure of (6aS,12aS)-Octahydrodipyrido[1,2-a:1',2'-d]pyrazine-6,12(2H,6aH)-dione
CAS: 1817657-89-8
CID: 97436027
Formula: C12H18N2O2
MW: 222.28
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.28
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass222.136827821
Monoisotopic Mass222.136827821
Topological Polar Surface Area40.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity297
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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