(3S,4aS,10aR)-3-(ethylsulfamoylamino)-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-ol

Base Information

• Chemical Name: (3S,4aS,10aR)-3-(ethylsulfamoylamino)-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-ol
• CAS No.: 1049775-69-0
• Molecular Formula: C18H30ClN3O3S
• Molecular Weight: 403.9671
• DSSTox Substance ID: DTXSID10276017
• Wikidata: Q76009906
• Mol file: 1049775-69-0.mol

Synonyms:1049775-69-0;N-Desethyl Quinagolide Hydrochloride;(3S,4aS,10aR)-3-(ethylsulfamoylamino)-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-ol;AC1L2Y1Z;DTXSID10276017

Chemical Property of (3S,4aS,10aR)-3-(ethylsulfamoylamino)-1-propyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-6-ol

Chemical Property:

• PSA: 90.05000
• LogP: 3.20430
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 367.19296297
• Heavy Atom Count: 25
• Complexity: 536

Purity/Quality:

99% ^*data from raw suppliers

N-DesethylQuinagolideHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCN1CC(CC2C1CC3=C(C2)C(=CC=C3)O)NS(=O)(=O)NCC
• Isomeric SMILES: CCCN1C[C@H](C[C@H]2[C@H]1CC3=C(C2)C(=CC=C3)O)NS(=O)(=O)NCC
• Uses: N-Desethyl Quinagolide is a metabolite of Quinagolide (Q580500). Quinagolide Metabolite 1.

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