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Tapentadol hydrochloride

CAT: 0926-BT182778-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-BT182778-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
175591-09-0
MDL Number
MFCD28989028
Smiles
[C@H] ([C@H] (CN (C) C) C) (CC) C1=CC (O) =CC=C1.Cl
Molecular Formula
C14H23NO•HCl
Molecular Weight
257.8 g/mol
Controlled
Yes

Chemical Information

Tapentadol Hydrochloride

Tapentadol Hydrochloride is the hydrochloride salt of tapentadol, an orally available, synthetic benzenoid that acts as an agonist for the mu-opioid receptor (MOR) and inhibits the reuptake of noradrenaline, with potential anti-nociceptive activity. Upon oral administration, tapentadol binds to the MOR which enhances MOR-mediated signaling, interferes with the sensation of pain and results in an analgesic effect. Tapentadol also inhibits the reuptake of noradrenaline, which increases the levels of noradrenaline (NA), activates the inhibitory alpha-2 receptors and results in an analgesic effect.

CAS Number175591-09-0
PubChem CID9838021
IUPAC Name3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrochloride
Molecular FormulaC14H24ClNO
Molecular Weight257.80
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity193
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-YECZQDJWSA-N
Chemical Structure
2D Structure
2D structure of Tapentadol Hydrochloride
CAS: 175591-09-0
CID: 9838021
Formula: C14H24ClNO
MW: 257.80
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.80
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass257.1546421
Monoisotopic Mass257.1546421
Topological Polar Surface Area23.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity193
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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