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Ractopamine-d3 hydrochloride

CAT: 0931-TMID-0019-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TMID-0019-01Size:1 mg
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CAS Number
1219794-72-5
Bioactivity
Ractopamine-d3 hydrochloride is a deuterated compound of Ractopamine hydrochloride. Ractopamine hydrochloride has a CAS number of 90274-24-1.
Smiles
C(C(NC(CCC1=CC=C(O)C=C1)C)([2H])[2H])(O)(C2=CC=C(O)C=C2)[2H].Cl
Molecular Formula
C18H21D3ClNO3
Molecular Weight
340.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ractopamine-d3 (hydrochloride)
CAS Number1219794-72-5
PubChem CID162642020
IUPAC Name4-[3-[[1,1,2-trideuterio-2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
Molecular FormulaC18H24ClNO3
Molecular Weight340.9
Topological Polar Surface Area72.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity297
SMILES
[2H]C([2H])(C([2H])(C1=CC=C(C=C1)O)O)NC(C)CCC2=CC=C(C=C2)O.Cl
InChI
InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15;/h4-11,13,18-22H,2-3,12H2,1H3;1H/i12D2,18D;
InChIKey
JHGSLSLUFMZUMK-AKLJGQCDSA-N
Chemical Structure
2D Structure
2D structure of Ractopamine-d3 (hydrochloride)
CAS: 1219794-72-5
CID: 162642020
Formula: C18H24ClNO3
MW: 340.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight340.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass340.1633016
Monoisotopic Mass340.1633016
Topological Polar Surface Area72.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity297
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes