Tapentadol EP Impurity A HCl

CAT: 1596-AR-T03480-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T03480-01Size:10 Units

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CAS Number

1282502-22-0

Synonyms

3-[ (1S,2R) -3- (Dimethylamino) -1-ethyl-2-methylpropyl]phenol Hydrochloride; (1S,2R) -Tapentadol Hydrochloride

Molecular Formula

C14H24ClNO

Molecular Weight

257.8

API Name

Tapentadol

Chemical Information

(1S,2R)-Tapentadol Hydrochloride

CAS Number	1282502-22-0
PubChem CID	60148438
IUPAC Name	3-[(2R,3S)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrochloride
Molecular Formula	C14H24ClNO
Molecular Weight	257.80
Topological Polar Surface Area	23.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	193

SMILES

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

InChI

InChI=1S/C14H23NO.ClH/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h6-9,11,14,16H,5,10H2,1-4H3;1H/t11-,14-;/m0./s1

InChIKey

ZELFLGGRLLOERW-XCBLFTOQSA-N

Chemical Structure

2D Structure

CAS: 1282502-22-0

CID: 60148438

Formula: C14H24ClNO

MW: 257.80

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.80
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	257.1546421
Monoisotopic Mass	257.1546421
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	193
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	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-T03446-01	Tapentadol EP Impurity A
AR-T03810-01	Tapentadol EP Impurity C
AR-T03460-01	Tapentadol EP Impurity D
AR-T03449-01	Tapentadol EP Impurity E
AR-T03441-01	Tapentadol EP Impurity C Hydrochoride
AR-P31676-01	Pimozide EP Impurity A HCl (Benperidol EP Impurity A HCl)
AR-T03461-01	Tapentadol impurity E CRS HCl salt
AR-L01766-01	Lobeline HCl EP Impurity A HCl
AR-D01943-01	Diphenhydramine EP Impurity B HCl (Orphenadrine EP Impurity F HCl)
AR-D07254-01	Dipivefrine EP Impurity C HCl and Dipivefrine EP Impurity D HCl

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