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Tapentadol O-Sulfate

CAT: 0572-TRC-T007220-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T007220-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1300037-87-9
Synonyms
Tapentadol O-Sulfate
Hazard Statement
Harmful if swallowed.
Smiles
CC[C@H]([C@@H](C)CN(C)C)c1cccc(OS(=O)(=O)O)c1
Molecular Formula
C14 H23 N O4 S
Molecular Weight
301.4
InChI
InChI=1S/C14H23NO4S/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(9-12)19-20(16,17)18/h6-9,11,14H,5,10H2,1-4H3,(H,16,17,18)/t11-,14+/m0/s1
Additionnal Information
IUPAC name: [3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenyl] hydrogen sulfate
Shipping Conditions
Room Temperature

Chemical Information

Tapentadol O-sulfate
CAS Number1300037-87-9
PubChem CID71752327
IUPAC Name[3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenyl] hydrogen sulfate
Molecular FormulaC14H23NO4S
Molecular Weight301.40
XLogP0.7
Topological Polar Surface Area75.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity377
SMILES
CC[C@@H](C1=CC(=CC=C1)OS(=O)(=O)O)[C@@H](C)CN(C)C
InChI
InChI=1S/C14H23NO4S/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(9-12)19-20(16,17)18/h6-9,11,14H,5,10H2,1-4H3,(H,16,17,18)/t11-,14+/m0/s1
InChIKey
HPEFZESOUVTBSA-SMDDNHRTSA-N
Chemical Structure
2D Structure
2D structure of Tapentadol O-sulfate
CAS: 1300037-87-9
CID: 71752327
Formula: C14H23NO4S
MW: 301.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.40
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass301.13477939
Monoisotopic Mass301.13477939
Topological Polar Surface Area75.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
TRC-T007222-25MGTapentadol-d5 O-Sulfate
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TRC-T007210-5MGTapentadol O-Beta-D-Glucuronide
TRC-T007210-50MGTapentadol O-b-D-Glucuronide
TRC-T007212-75MGTapentadol-d5 O-beta-D-Glucuronide
TRC-B279982-25MG3’-O-Benzyl-(1R)-hydroxy Tapentadol-d5
TRC-B279982-2.5MG3’-O-Benzyl-(1R)-hydroxy Tapentadol-d5
TRC-D294005-100MGN-Desmethyl Tapentadol O-beta-D-Glucuronide
TRC-T007200-1MGTapentadol Hydrochloride

Alternative Products

CatalogName
CS-T-43150Tapentadol O-Sulfate
CS-T-87118Tapentadol-d5 O-Sulfate
AHA59117-01O-Methyl Tapentadol Hydrochloride
GC1337-10mgTapentadol O-β-D-glucuronide
CS-O-30514Tapentadol-O-beta-D-Glucuronide
461317-01O-Methyl Tapentadol Hydrochloride discontinued
021266Tapentadol O-β-D-Glucuronide discontinued
AR-T03989-01(1S,2S) -Tapentadol-O-Methyl
AR-T03988-01(1R,2S) -Tapentadol-O-Methyl
AR-T03990-01(1S,2R) -Tapentadol-O-Methyl

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