Tramadol EP Impurity B HCl

CAT: 1596-AR-T02746-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T02746-01Size:10 Units

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CAS Number

66170-32-9

Synonyms

1- (3'-Methoxy-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl) -N, N-dimethylmethanamine Hydrochloride

Molecular Formula

C16H23NO ; HCl

Molecular Weight

245.37; 36.46

API Name

Tramadol

Chemical Information

1,2-Dehydro tramadol hydrochloride

CAS Number	66170-32-9
PubChem CID	71299213
IUPAC Name	1-[2-(3-methoxyphenyl)cyclohexen-1-yl]-N,N-dimethylmethanamine;hydrochloride
Molecular Formula	C16H24ClNO
Molecular Weight	281.82
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	295

SMILES

CN(C)CC1=C(CCCC1)C2=CC(=CC=C2)OC.Cl

InChI

InChI=1S/C16H23NO.ClH/c1-17(2)12-14-7-4-5-10-16(14)13-8-6-9-15(11-13)18-3;/h6,8-9,11H,4-5,7,10,12H2,1-3H3;1H

InChIKey

HRDKNHRQACZKLL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66170-32-9

CID: 71299213

Formula: C16H24ClNO

MW: 281.82

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.82
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	281.1546421
Monoisotopic Mass	281.1546421
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	295
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes