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Ropinirole-d7 Hydrochloride

CAT: 0572-TRC-R641004-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R641004-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1261396-31-9
Synonyms
Ropinirole-D7 hydrochloride; Ropinirole-D7 hydrochloride (N-propyl D7); 4-[2-[1,1,2,2,3,3,3-Heptadeuteriopropyl(propyl)amino]ethyl]-1,3-dihydro-2H-indol-2-one hydrochloride
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Smiles
Cl.[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(CCC)CCc1cccc2NC(=O)Cc12
Molecular Formula
C16 2H7 H17 N2 O . Cl H
Molecular Weight
303.88
InChI
InChI=1S/C16H24N2O.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H/i1D3,3D2,9D2;
Additionnal Information
IUPAC name: 4-[2-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]ethyl]-1,3-dihydroindol-2-one;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ropinirole-d7 Hydrochloride
CAS Number1261396-31-9
PubChem CID49849863
IUPAC Name4-[2-[1,1,2,2,3,3,3-heptadeuteriopropyl(propyl)amino]ethyl]-1,3-dihydroindol-2-one;hydrochloride
Molecular FormulaC16H25ClN2O
Molecular Weight303.88
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity286
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])N(CCC)CCC1=C2CC(=O)NC2=CC=C1.Cl
InChI
InChI=1S/C16H24N2O.ClH/c1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;/h5-7H,3-4,8-12H2,1-2H3,(H,17,19);1H/i1D3,3D2,9D2;
InChIKey
XDXHAEQXIBQUEZ-DWPKPNNESA-N
Chemical Structure
2D Structure
2D structure of Ropinirole-d7 Hydrochloride
CAS: 1261396-31-9
CID: 49849863
Formula: C16H25ClN2O
MW: 303.88
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.88
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass303.2094783
Monoisotopic Mass303.2094783
Topological Polar Surface Area32.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity286
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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