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(-)-O-Desmethyl Tramadol

CAT: 0572-TRC-D294745-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D294745-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144830-15-9
Synonyms
(-)-O-Desmethyl Tramadol
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
CN(C)C[C@@H]1CCCC[C@@]1(O)c2cccc(O)c2
Molecular Formula
C15 H23 N O2
Molecular Weight
249.35
InChI
InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m0/s1
Additionnal Information
IUPAC name: 3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(-)-O-Desmethyl Tramadol
CAS Number144830-15-9
PubChem CID15645279
IUPAC Name3-[(1S,2S)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol
Molecular FormulaC15H23NO2
Molecular Weight249.35
XLogP2.3
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity269
SMILES
CN(C)C[C@@H]1CCCC[C@]1(C2=CC(=CC=C2)O)O
InChI
InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m0/s1
InChIKey
UWJUQVWARXYRCG-DZGCQCFKSA-N
Chemical Structure
2D Structure
2D structure of (-)-O-Desmethyl Tramadol
CAS: 144830-15-9
CID: 15645279
Formula: C15H23NO2
MW: 249.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.35
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass249.172878976
Monoisotopic Mass249.172878976
Topological Polar Surface Area43.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity269
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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