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Bupivacaine Impurity 18

CAT: 1299-RM-B162218-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-B162218-01Size:10 mg
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CAS Number
2125995-25-5
Synonyms
(S) -1- ((R) -sec-butyl) -N- (2,6-dimethylphenyl) piperidine-2-carboxamide
Molecular Formula
C18H28N2O
Molecular Weight
288.44
Target Alternative Name
Bupivacaine
Product Name Synonym
(S) -1- ((R) -sec-butyl) -N- (2,6-dimethylphenyl) piperidine-2-carboxamide

Chemical Information

(S)-1-((R)-sec-butyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CAS Number2125995-25-5
PubChem CID177830529
IUPAC Name(2S)-1-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
Molecular FormulaC18H28N2O
Molecular Weight288.4
XLogP3.3
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity334
SMILES
CC[C@@H](C)N1CCCC[C@H]1C(=O)NC2=C(C=CC=C2C)C
InChI
InChI=1S/C18H28N2O/c1-5-15(4)20-12-7-6-11-16(20)18(21)19-17-13(2)9-8-10-14(17)3/h8-10,15-16H,5-7,11-12H2,1-4H3,(H,19,21)/t15-,16+/m1/s1
InChIKey
RTDIJAHGJUZJCJ-CVEARBPZSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-((R)-sec-butyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CAS: 2125995-25-5
CID: 177830529
Formula: C18H28N2O
MW: 288.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass288.220163521
Monoisotopic Mass288.220163521
Topological Polar Surface Area32.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity334
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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