Tapentadol Impurity 1 (2S,3R)

CAT: 1596-AR-T06321-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T06321-01Size:10 Units

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CAS Number

809282-20-0

Synonyms

(2S,3R) -1- (Dimethylamino) -3- (3-methoxyphenyl) -2-methylpentan-3-ol

Molecular Formula

C15H25NO2

Molecular Weight

251.37

API Name

Tapentadol

Chemical Information

(2R,3S)-1-(Dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol

CAS Number	809282-20-0
PubChem CID	11989046
IUPAC Name	(2R,3S)-1-(dimethylamino)-3-(3-methoxyphenyl)-2-methylpentan-3-ol
Molecular Formula	C15H25NO2
Molecular Weight	251.36
XLogP	2.6
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	18
Formal Charge	0
Complexity	245

SMILES

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

InChI

InChI=1S/C15H25NO2/c1-6-15(17,12(2)11-16(3)4)13-8-7-9-14(10-13)18-5/h7-10,12,17H,6,11H2,1-5H3/t12-,15+/m1/s1

InChIKey

PZNRRUTVGXCKFC-DOMZBBRYSA-N

Chemical Structure

2D Structure

CAS: 809282-20-0

CID: 11989046

Formula: C15H25NO2

MW: 251.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.36
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	251.188529040
Monoisotopic Mass	251.188529040
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	245
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-T03993-01	Tapentadol Impurity 1
AR-T03994-01	Tapentadol Impurity 3
AR-T03446-01	Tapentadol EP Impurity A
AR-T03992-01	N-Nitroso Tapentadol Impurity 1
AR-T03989-01	(1S,2S) -Tapentadol-O-Methyl
AR-T03988-01	(1R,2S) -Tapentadol-O-Methyl
AR-T03810-01	Tapentadol EP Impurity C
AR-C09023-01	Cabotegravir Open Ring Impurity (3R,2S Isomer)
AR-T03480-01	Tapentadol EP Impurity A HCl
AR-T03460-01	Tapentadol EP Impurity D

Catalog	Name
CS-O-49852	Tapentadol (2S,3S) methoxy Impurity
CS-O-46027	Tapentadol N-2 (2S,3S) -isomer impurity
AHA59110-01	(1S,2S) -Tapentadol hydrochloride
TRC-T007233-250MG	(1S,2S)-Tapentadol Hydrochloride
RM-T327104-01	Tapentadol Impurity 4; Tapentadol EP Impurity C
CS-TB-79248	(1R,2S) -Tapentadol Hydrochloride
TRC-T007232-50MG	(1R,2S)-Tapentadol-d6
TRC-T007230-10MG	(1R,2S)-Tapentadol Hydrochloride
RM-T327105-01	Tapentadol Impurity 5; Tapentadol EP Impurity D
CS-O-56625	Tapentadol EP Impurity A