Tapentadol impurity E CRS HCl salt

CAT: 1596-AR-T03461-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T03461-01Size:10 Units

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CAS Number

175591-17-0

Synonyms

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

Molecular Formula

C15H25NO•HCl

Molecular Weight

235.37+ (36.46)

API Name

Tapentadol

Chemical Information

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

CAS Number	175591-17-0
PubChem CID	24786081
IUPAC Name	(2R,3R)-3-(3-methoxyphenyl)-N,N,2-trimethylpentan-1-amine;hydrochloride
Molecular Formula	C15H26ClNO
Molecular Weight	271.82
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	18
Formal Charge	0
Complexity	205

SMILES

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

InChI

InChI=1S/C15H25NO.ClH/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;1H/t12-,15+;/m0./s1

InChIKey

XKSJVTDZSYZBGF-SBKWZQTDSA-N

Chemical Structure

2D Structure

CAS: 175591-17-0

CID: 24786081

Formula: C15H26ClNO

MW: 271.82

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.82
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	271.1702921
Monoisotopic Mass	271.1702921
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	18
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	2
Compound Is Canonicalized	Yes

Catalog	Name
AR-T03447-01	Tapentadol impurity B CRS
AR-T03811-01	Tapentadol EP Impurity A HCl Salt
AR-T03480-01	Tapentadol EP Impurity A HCl
AR-T03449-01	Tapentadol EP Impurity E
AR-M03421	Mirabegron EP Impurity E HCl Salt
AR-L08091-01	Lidocaine EP Impurity E HCl Salt
AR-P29637-01	Prilocaine EP Impurity E HCl Salt
AR-N08025-01	Norfloxacin EP Impurity E HCl Salt
AR-B08285-01	Benserazide Impurity 18 (E, E Isomer) HCl Salt
AR-T03994-01	Tapentadol Impurity 3

Catalog	Name
CS-O-46021	Tapentadol Impurity B Hydrochloride salt
CS-O-46023	Tapentadol Impurity D Hydrochloride salt
CS-O-46022	Tapentadol Impurity C Hydrochloride salt
CS-O-46024	O-Methyl Tapentadol Impurity C Hydrochloride salt
CS-O-46026	O-Methyl Tapentadol Impurity B Hydrochloride salt
CS-O-46025	O-Methyl (E) Tapentadol Impurity C Hydrochloride salt
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