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Tonazocine mesylate

CAT: 0931-T202153-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202153-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73789-00-1
Bioactivity
Tonazocine, a non-peptide compound, primarily functions as a partial δ-opioid receptor agonist, with additional properties of a μ-receptor antagonist and weak κ-receptor agonist activity.
Smiles
CS(O)(=O)=O.CCCCCC(=O)CC[C@]1(C)[C@H]2CC3=CC=C(O)C=C3[C@]1(C)CCN2C
Molecular Formula
C24H39NO5S
Molecular Weight
453.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tonazocine Mesylate
CAS Number73789-00-1
PubChem CID76965006
IUPAC Name1-[(1S,9R,13S)-4-hydroxy-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]octan-3-one;methanesulfonic acid
Molecular FormulaC24H39NO5S
Molecular Weight453.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity599
SMILES
CCCCCC(=O)CC[C@@]1([C@H]2CC3=C([C@@]1(CCN2C)C)C=C(C=C3)O)C.CS(=O)(=O)O
InChI
InChI=1S/C23H35NO2.CH4O3S/c1-5-6-7-8-18(25)11-12-23(3)21-15-17-9-10-19(26)16-20(17)22(23,2)13-14-24(21)4;1-5(2,3)4/h9-10,16,21,26H,5-8,11-15H2,1-4H3;1H3,(H,2,3,4)/t21-,22+,23-;/m1./s1
InChIKey
CQSTVPYARYSBNS-HZLAGBECSA-N
Chemical Structure
2D Structure
2D structure of Tonazocine Mesylate
CAS: 73789-00-1
CID: 76965006
Formula: C24H39NO5S
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight453.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass453.25489452
Monoisotopic Mass453.25489452
Topological Polar Surface Area103 Ų
Heavy Atom Count31
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
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