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35779-43-2,MFCD00133007
Catalog No.:AA01CBRE

35779-43-2 | Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-, (8b)-

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Purity
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Quantity
  
5mg
3 weeks  
$2,912.00   $2,038.00
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  • Technical Information
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Technical Information
Catalog Number:
AA01CBRE
Chemical Name:
Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-, (8b)-
CAS Number:
35779-43-2
Molecular Formula:
C19H23N3O
Molecular Weight:
309.4054
MDL Number:
MFCD00133007
SMILES:
CCN(C(=O)[C@H]1CN[C@H]2C(=C1)c1cccc3c1c(C2)c[nH]3)CC
Properties
Computed Properties
 
Complexity:
499  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2.5  

Literature

Title: Special ergolines are highly selective, potent antagonists of the chemokine receptor CXCR3: discovery, characterization and preliminary SAR of a promising lead.

Journal: Bioorganic & medicinal chemistry letters 20091101

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

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SDS
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Tags:35779-43-2 Molecular Formula|35779-43-2 MDL|35779-43-2 SMILES|35779-43-2 Ergoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-, (8b)-