Tapentadol EP Impurity E

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CAS Number

175591-22-7

Synonyms

(2R,3R) -3- (3-Methoxyphenyl) -N, N,2-trimethylpentan-1-amine Hydrochloride; O-Methyl Tapentadol Hydrochloride

API Name

Tapentadol

Chemical Information

3(3-Methoxyphenyl)-N,N,2-trimethyl pentane-1-amine, (2R,3R)-

CAS Number	175591-22-7
PubChem CID	11253328
IUPAC Name	(2R,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine
Molecular Formula	C15H25NO
Molecular Weight	235.36
XLogP	3.9
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	17
Formal Charge	0
Complexity	205

SMILES

CC[C@@H](C1=CC(=CC=C1)OC)[C@@H](C)CN(C)C

InChI

InChI=1S/C15H25NO/c1-6-15(12(2)11-16(3)4)13-8-7-9-14(10-13)17-5/h7-10,12,15H,6,11H2,1-5H3/t12-,15+/m0/s1

InChIKey

JKVBTSJLQLSTHJ-SWLSCSKDSA-N

Chemical Structure

2D Structure

CAS: 175591-22-7

CID: 11253328

Formula: C15H25NO

MW: 235.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.36
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	235.193614421
Monoisotopic Mass	235.193614421
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	205
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-T03446-01	Tapentadol EP Impurity A
AR-T03810-01	Tapentadol EP Impurity C
AR-T03480-01	Tapentadol EP Impurity A HCl
AR-T03460-01	Tapentadol EP Impurity D
AR-T03811-01	Tapentadol EP Impurity A HCl Salt
AR-T03441-01	Tapentadol EP Impurity C Hydrochoride
AR-T03461-01	Tapentadol impurity E CRS HCl salt
AR-T03994-01	Tapentadol Impurity 3
AR-T03993-01	Tapentadol Impurity 1
AR-L06144-01	Levomepromazine EP Impurity E

Catalog	Name
RM-T327104-01	Tapentadol Impurity 4; Tapentadol EP Impurity C
RM-T327105-01	Tapentadol Impurity 5; Tapentadol EP Impurity D
CS-O-56625	Tapentadol EP Impurity A
RM-T327112-01	Tapentadol Impurity 12
RM-T327107-01	Tapentadol Impurity 7
CS-EO-02318	Tapentadol Impurity 1
CS-EG-01104	Tapentadol impurity A (Y0002113)
CS-O-46020	Tapentadol Impurity A Hydrochloride
RM-T327103-01	Tapentadol Impurity 3
CS-DE-01710	Tapentadol Impurity A phosphate