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Rotigotine methyl ether hydrochloride

CAT: 0931-TYD-03734-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-03734-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1232344-37-4
Target
Others
Related Pathways
Others
Bioactivity
Rotigotine methyl ether hydrochloride is a pharmaceutical intermediate used in the synthesis of various active compounds.
Smiles
O(C)C1=C2C(C[C@@H](N(CCC3=CC=CS3)CCC)CC2)=CC=C1.Cl
Molecular Formula
C20H28ClNOS
Molecular Weight
365.96
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(S)-5-methoxy-N-propyl-N-(2-(thiophen-2-yl)ethyl)-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
CAS Number1232344-37-4
PubChem CID68654246
IUPAC Name(2S)-5-methoxy-N-propyl-N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
Molecular FormulaC20H28ClNOS
Molecular Weight366.0
Topological Polar Surface Area40.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity351
SMILES
CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3OC.Cl
InChI
InChI=1S/C20H27NOS.ClH/c1-3-12-21(13-11-18-7-5-14-23-18)17-9-10-19-16(15-17)6-4-8-20(19)22-2;/h4-8,14,17H,3,9-13,15H2,1-2H3;1H/t17-;/m0./s1
InChIKey
DXOXYGJOZXEOOP-LMOVPXPDSA-N
Chemical Structure
2D Structure
2D structure of (S)-5-methoxy-N-propyl-N-(2-(thiophen-2-yl)ethyl)-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride
CAS: 1232344-37-4
CID: 68654246
Formula: C20H28ClNOS
MW: 366.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight366.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass365.1580134
Monoisotopic Mass365.1580134
Topological Polar Surface Area40.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity351
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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