Molecular Identity
Rotigotine
(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID: 59227
Rotigotine is a member of tetralins.
2D Structure
Properties
C19H25NOS
Molecular Formula
315.50
Molecular Weight
g/mol
315.1657
Exact Mass
Da
4.9
XLogP
Drug-like (Lipinski: < 5)
51.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
337
Complexity
SMILES
Canonical SMILES
SMILES: CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3OIsomeric SMILES
SMILES: CCCN(CCC1=CC=CS1)[C@H]2CCC3=C(C2)C=CC=C3OSynonyms(20)
Rotigotine99755-59-6NeuproLegantoSPM 962SPM-962RotigotinaDTXSID504677287T4T8BO2E(6S)-6-(Propyl(2-(2-thienyl)ethyl)amino)-5,6,7,8-tetrahydro-1-naphthalenol(-)-(S)-5,6,7,8-Tetrahydro-6-(propyl(2-(2-thienyl)ethyl)amino)-1-naphtholDTXCID3026772N-0437(6S)-6-{propyl[2-(thiophen-2-yl)ethyl]amino}-5,6,7,8-tetrahydronaphthalen-1-ol1-naphthalenol, 5,6,7,8-tetrahydro-6-(propyl (2-(2-thienyl)ethyl)amino-(6S)-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Rotigotine
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