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(+)-N,O-Didesmethyl Tramadol

CAT: 0572-TRC-D441230-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D441230-5MGSize:5 mg
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CAS Number
144830-18-2
Hazard Statement
Harmful if swallowed.
Smiles
CNC[C@H]1CCCC[C@]1(O)c2cccc(O)c2
Molecular Formula
C14 H21 N O2
Molecular Weight
235.32
InChI
InChI=1S/C14H21NO2/c1-15-10-12-5-2-3-8-14(12,17)11-6-4-7-13(16)9-11/h4,6-7,9,12,15-17H,2-3,5,8,10H2,1H3/t12-,14+/m1/s1
Additionnal Information
IUPAC name: 3-[(1R,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

O,N-Didesmethyltramadol

N,O-Didesmethyltramadol is a ring assembly and an alkylbenzene.

CAS Number144830-18-2
PubChem CID9816106
IUPAC Name3-[(1R,2R)-1-hydroxy-2-(methylaminomethyl)cyclohexyl]phenol
Molecular FormulaC14H21NO2
Molecular Weight235.32
XLogP2.4
Topological Polar Surface Area52.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity246
SMILES
CNC[C@H]1CCCC[C@@]1(C2=CC(=CC=C2)O)O
InChI
InChI=1S/C14H21NO2/c1-15-10-12-5-2-3-8-14(12,17)11-6-4-7-13(16)9-11/h4,6-7,9,12,15-17H,2-3,5,8,10H2,1H3/t12-,14+/m1/s1
InChIKey
CJXNQQLTDXASSR-OCCSQVGLSA-N
Chemical Structure
2D Structure
2D structure of O,N-Didesmethyltramadol
CAS: 144830-18-2
CID: 9816106
Formula: C14H21NO2
MW: 235.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight235.32
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass235.157228913
Monoisotopic Mass235.157228913
Topological Polar Surface Area52.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity246
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