Products for Research Use Only
RegisterLogin

Rotigotine sulfate

CAT: 0024-sc-472796Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0024-sc-472796Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
128478-69-3

Chemical Information

Rotigotine Sulfate
CAS Number128478-69-3
PubChem CID71752122
IUPAC Name[(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-yl] hydrogen sulfate
Molecular FormulaC19H25NO4S2
Molecular Weight395.5
XLogP2
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity536
SMILES
CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3OS(=O)(=O)O
InChI
InChI=1S/C19H25NO4S2/c1-2-11-20(12-10-17-6-4-13-25-17)16-8-9-18-15(14-16)5-3-7-19(18)24-26(21,22)23/h3-7,13,16H,2,8-12,14H2,1H3,(H,21,22,23)/t16-/m0/s1
InChIKey
VWKVWIAVWPRBTQ-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Rotigotine Sulfate
CAS: 128478-69-3
CID: 71752122
Formula: C19H25NO4S2
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass395.12250063
Monoisotopic Mass395.12250063
Topological Polar Surface Area103 Ų
Heavy Atom Count26
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-211413Ent-Rotigotine
sc-212790Rotigotine Hydrochloride
sc-472785Rac-Rotigotine hydrochloride
sc-472789Rotigotine β-D-glucuronide
sc-472786Rac Rotigotine-d7 hydrochloride
sc-219880Rac Rotigotine-d3 Hydrochloride Salt
sc-472791Rac-Rotigotine-d3 methyl ether
sc-472793Rac-Rotigotine-d3 methyl ether amide
sc-506292Potassium Sulfate (Sulfate of Potash)
sc-211505AFerrous Sulfate (Iron II Sulfate) Heptahydrate

Alternative Products

CatalogName
DFA47869-01Rotigotine sulfate
458873N-Despropyl Rotigotine Sulfate
AR-R11538-01N-Depropyl Rotigotine Sulfate
AR-R11539-01N-Desthienylethyl Rotigotine Sulfate
AR-R11576-01Rac-Rotigotine Sulfate Sodium Salt
T6647-01Rotigotine-
RM-R152000-01Rotigotine

Popular Products