Eperisone-D10

CAT: 1299-RM-E160535-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E160535-01Size:10 mg

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CAS Number

1246912-05-9

Synonyms

1- (4-ethylphenyl) -2-methyl-3- (piperidin-1-yl-d10) propan-1-one

Molecular Formula

C17H15D10NO

Molecular Weight

269.45

Target Alternative Name

Eperisone

Product Name Synonym

1- (4-ethylphenyl) -2-methyl-3- (piperidin-1-yl-d10) propan-1-one

Chemical Information

Eperisone-D10

CAS Number	1246912-05-9
PubChem CID	71316346
IUPAC Name	3-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-1-(4-ethylphenyl)-2-methylpropan-1-one
Molecular Formula	C17H25NO
Molecular Weight	269.45
XLogP	3.8
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	275

SMILES

[2H]C1(C(C(N(C(C1([2H])[2H])([2H])[2H])CC(C)C(=O)C2=CC=C(C=C2)CC)([2H])[2H])([2H])[2H])[2H]

InChI

InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3/i4D2,5D2,6D2,11D2,12D2

InChIKey

SQUNAWUMZGQQJD-VNPGEGATSA-N

Chemical Structure

2D Structure

CAS: 1246912-05-9

CID: 71316346

Formula: C17H25NO

MW: 269.45

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.45
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	269.256381880
Monoisotopic Mass	269.256381880
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	275
Isotope Atom Count	10
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes