Tapentadol EP Impurity C Hydrochoride

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CAT#:1596-AR-T03441-01Size:50 Units

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CAS Number

197144-93-7

Synonyms

(R, Z) -3- (5- (Dimethylamino) -4-methylpent-2-en-3-yl) phenol Hydrochloride

Molecular Formula

C14H21NO; HCl

Molecular Weight

219.33; 36.46

API Name

Tapentadol

Chemical Information

(R,Z)-3-(5-(Dimethylamino)-4-methylpent-2-en-3-yl)phenol Hydrochloride

CAS Number	197144-93-7
PubChem CID	89690862
IUPAC Name	3-[(Z,4R)-5-(dimethylamino)-4-methylpent-2-en-3-yl]phenol;hydrochloride
Molecular Formula	C14H22ClNO
Molecular Weight	255.78
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	235

SMILES

C/C=C(\C1=CC(=CC=C1)O)/[C@@H](C)CN(C)C.Cl

InChI

InChI=1S/C14H21NO.ClH/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h5-9,11,16H,10H2,1-4H3;1H/b14-5-;/t11-;/m0./s1

InChIKey

TZOOYBCJSXMJPM-UOOGNVTLSA-N

Chemical Structure

2D Structure

CAS: 197144-93-7

CID: 89690862

Formula: C14H22ClNO

MW: 255.78

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.78
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	255.1389920
Monoisotopic Mass	255.1389920
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-T03810-01	Tapentadol EP Impurity C
AR-T03446-01	Tapentadol EP Impurity A
AR-T03480-01	Tapentadol EP Impurity A HCl
AR-T03460-01	Tapentadol EP Impurity D
AR-T03449-01	Tapentadol EP Impurity E
AR-T03811-01	Tapentadol EP Impurity A HCl Salt
AR-T03994-01	Tapentadol Impurity 3
AR-T03993-01	Tapentadol Impurity 1
AR-T03447-01	Tapentadol impurity B CRS
AR-T03465-01	Tapentadol Hydrochloride

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