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Ropinirole-d4 Hydrochloride

CAT: 0572-TRC-R641003-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R641003-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1330261-37-4
Synonyms
4-[2-(Dipropylamino-d4)ethyl]-1,3-dihydro-2H-indol-2-one Hydrochloride; 4-[2-(Di-n-propylamino-d4)ethyl]-2(3H)-indolone Hydrochloride; SKF-101468A-d4; Requip-d4;
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
O=C1NC2=CC=CC(CCN(C([2H])([2H])CC)C([2H])([2H])CC)=C2C1.Cl
Molecular Formula
C16H21D4ClN2O
Molecular Weight
300.86
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Ropinirole-d4 Hydrochloride
CAS Number1330261-37-4
PubChem CID71752103
IUPAC Name4-[2-[bis(1,1-dideuteriopropyl)amino]ethyl]-1,3-dihydroindol-2-one;hydrochloride
Molecular FormulaC16H25ClN2O
Molecular Weight300.86
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])(CC)N(CCC1=C2CC(=O)NC2=CC=C1)C([2H])([2H])CC.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/i9D2,10D2;
InChIKey
XDXHAEQXIBQUEZ-PQDNHERISA-N
Chemical Structure
2D Structure
2D structure of Ropinirole-d4 Hydrochloride
CAS: 1330261-37-4
CID: 71752103
Formula: C16H25ClN2O
MW: 300.86
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight300.86
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass300.1906481
Monoisotopic Mass300.1906481
Topological Polar Surface Area32.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity286
Isotope Atom Count4
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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