Quinagolide
(3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline
Molecular Identity
Quinagolide
(3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline
PubChem CID: 3086401
Quinagolide is an organic heterotricyclic compound and an organonitrogen heterocyclic compound.
2D Structure
Properties
C20H33N3O3S
Molecular Formula
395.60
Molecular Weight
g/mol
395.2243
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
81.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
576
Complexity
SMILES
Canonical SMILES
SMILES: CCCN1CC(CC2C1CC3=C(C2)C(=CC=C3)O)NS(=O)(=O)N(CC)CCIsomeric SMILES
SMILES: CCCN1C[C@H](C[C@H]2[C@H]1CC3=C(C2)C(=CC=C3)O)NS(=O)(=O)N(CC)CCSynonyms(20)
Quinagolide87056-78-8QuinagolidumCV 205-502(3S,4aS,10aR)-3-[(diethylsulfamoyl)amino]-1-propyl-1H,2H,3H,4H,4aH,5H,10H,10aH-benzo[g]quinolin-6-olCV205-502(3S,4aS,10aR)-3-((diethylsulfamoyl)amino)-1-propyl-1H,2H,3H,4H,4aH,5H,10H,10aH-benzo(g)quinolin-6-olRefChem:871915G02CB0480Q9QWN15MQuinagolidaNorprolac(3S,4aS,10aR)-3-(diethylsulfamoylamino)-6-hydroxy-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolinerel-N,N-Diethyl-N'-[(3R,4aR,10aS)-1,2,3,4,4a,5,10,10a-octahydro-6-hydroxy-1-propylbenzo[g]quinolin-3-yl]sulfamide140630-80-4
Data from PubChem (NCBI)
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Drug Network
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