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Clenpenterol-d5 hydrochloride

CAT: 0931-TMIJ-0294-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0294-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1794793-20-6
Bioactivity
Clenpenterol-d5 hydrochloride is a deuterated compound of Clenpenterol hydrochloride. Clenpenterol hydrochloride has a CAS number of 37158-47-7.
Smiles
ClC1C=C(C=C(C=1N)Cl)C(CNC(C)(C)C([2H])([2H])C([2H])([2H])[2H])O.Cl
Molecular Formula
C13H16D5Cl3N2O
Molecular Weight
332.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Clenpenterol-d5 Hydrochloride
CAS Number1794793-20-6
PubChem CID71314897
IUPAC Name1-(4-amino-3,5-dichlorophenyl)-2-[(3,3,4,4,4-pentadeuterio-2-methylbutan-2-yl)amino]ethanol;hydrochloride
Molecular FormulaC13H21Cl3N2O
Molecular Weight332.7
Topological Polar Surface Area58.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity251
SMILES
[2H]C([2H])([2H])C([2H])([2H])C(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O.Cl
InChI
InChI=1S/C13H20Cl2N2O.ClH/c1-4-13(2,3)17-7-11(18)8-5-9(14)12(16)10(15)6-8;/h5-6,11,17-18H,4,7,16H2,1-3H3;1H/i1D3,4D2;
InChIKey
HJGDYFOIRCZBLH-UHBAQTEVSA-N
Chemical Structure
2D Structure
2D structure of Clenpenterol-d5 Hydrochloride
CAS: 1794793-20-6
CID: 71314897
Formula: C13H21Cl3N2O
MW: 332.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass331.103330
Monoisotopic Mass331.103330
Topological Polar Surface Area58.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity251
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

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