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Tiletamine-d5 Hydrochloride

CAT: 0572-TRC-T440202-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T440202-10MGSize:10 mg
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CAS Number
1246818-12-1
Hazard Statement
No Data Available
Smiles
Cl.[2H]C([2H])([2H])C([2H])([2H])NC1(CCCCC1=O)c2cccs2
Molecular Formula
C12 D5 H12 N O S . H Cl
Molecular Weight
264.826
InChI
InChI=1S/C12H17NOS.ClH/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14;/h5,7,9,13H,2-4,6,8H2,1H3;1H/i1D3,2D2;
Additionnal Information
IUPAC name: 2-(1,1,2,2,2-pentadeuterioethylamino)-2-thiophen-2-ylcyclohexan-1-one;hydrochloride

Chemical Information

CID 131698935
CAS Number1246818-12-1
PubChem CID131698935
IUPAC Name2-[deuterio(1,1,2,2-tetradeuterioethyl)amino]-2-thiophen-2-ylcyclohexan-1-one;hydrochloride
Molecular FormulaC12H18ClNOS
Molecular Weight264.83
Topological Polar Surface Area57.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity244
SMILES
[2H]C([2H])C([2H])([2H])N([2H])C1(CCCCC1=O)C2=CC=CS2.Cl
InChI
InChI=1S/C12H17NOS.ClH/c1-2-13-12(11-7-5-9-15-11)8-4-3-6-10(12)14;/h5,7,9,13H,2-4,6,8H2,1H3;1H/i1D2,2D2;/hD
InChIKey
ZUYKJZQOPXDNOK-FWRSOEPPSA-N
Chemical Structure
2D Structure
2D structure of CID 131698935
CAS: 1246818-12-1
CID: 131698935
Formula: C12H18ClNOS
MW: 264.83
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight264.83
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass264.1111468
Monoisotopic Mass264.1111468
Topological Polar Surface Area57.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity244
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes