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Nefopam

CAT: 0024-sc-338358Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-338358Size:1 g
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CAS Number
13669-70-0

Chemical Information

Nefopam

5-methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine is a member of the class of benzoxazocines that is 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine substituted by phenyl and methyl groups at positions 1 and 5 respectively. It is a tertiary amino compound and a benzoxazocine.

CAS Number13669-70-0
PubChem CID4450
IUPAC Name5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine
Molecular FormulaC17H19NO
Molecular Weight253.34
XLogP2.9
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity274
SMILES
CN1CCOC(C2=CC=CC=C2C1)C3=CC=CC=C3
InChI
InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3
InChIKey
RGPDEAGGEXEMMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nefopam
CAS: 13669-70-0
CID: 4450
Formula: C17H19NO
MW: 253.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.34
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass253.146664230
Monoisotopic Mass253.146664230
Topological Polar Surface Area12.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity274
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
KEA01182-01(+) -Nefopam
460636-01Nefopam
RDA46382-01(-) -Nefopam
018054Nefopam Hydrochloride
TRC-N385745-250MG(+)-Nefopam Hydrochloride
S4180-50mgNefopam HCl
MN46697-01Nefopam glucuronide
T19473-01Nefopam-d3
TRC-N385750-500MG(-)-Nefopam Hydrochloride
AR-N08008-01Nefopam Impurity A

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