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Ractopamine-d6 Hydrochloride

CAT: 0572-TRC-R071402-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R071402-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1276197-17-1
Synonyms
Ractopamine D6 Hydrochloride; 4-[2-[[1,1,1,2,3,3-Hexadeuterio-4-(4-hydroxyphenyl)butan-2-yl]amino]-1-hydroxyethyl]phenol hydrochloride
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.[2H]C([2H])([2H])C([2H])(NCC(O)c1ccc(O)cc1)C([2H])([2H])Cc2ccc(O)cc2
Molecular Formula
C18 2H6 H17 N O3 . Cl H
Molecular Weight
343.88
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/i1D3,2D2,13D;
Additionnal Information
IUPAC name: 4-[2,2,3,4,4,4-hexadeuterio-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ractopamine-d6 Hydrochloride
CAS Number1276197-17-1
PubChem CID71751913
IUPAC Name4-[2,2,3,4,4,4-hexadeuterio-3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;hydrochloride
Molecular FormulaC18H24ClNO3
Molecular Weight343.9
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])([2H])C([2H])(C([2H])([2H])CC1=CC=C(C=C1)O)NCC(C2=CC=C(C=C2)O)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/i1D3,2D2,13D;
InChIKey
JHGSLSLUFMZUMK-RUUVDYPYSA-N
Chemical Structure
2D Structure
2D structure of Ractopamine-d6 Hydrochloride
CAS: 1276197-17-1
CID: 71751913
Formula: C18H24ClNO3
MW: 343.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight343.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass343.1821318
Monoisotopic Mass343.1821318
Topological Polar Surface Area72.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity297
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes