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Home Other Building Blocks 112559-91-8
112559-91-8,MFCD28964104
Catalog No.:AA007SV3

112559-91-8 | Itraconazole metabolite Hydroxy Itraconazole

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Purity
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Price(USD)
Quantity
  
1mg
≥95% (mixture of diastereomers)
in stock  
$393.00   $275.00
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Technical Information
Catalog Number:
AA007SV3
Chemical Name:
Itraconazole metabolite Hydroxy Itraconazole
CAS Number:
112559-91-8
Molecular Formula:
C35H38Cl2N8O5
Molecular Weight:
721.6328
MDL Number:
MFCD28964104
SMILES:
CC(C(n1ncn(c1=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cc1)OCC1COC(O1)(Cn1cncn1)c1ccc(cc1Cl)Cl)C)O
Properties
Computed Properties
 
Complexity:
1150  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
11  
Undefined Atom Stereocenter Count:
4  
XLogP3:
4.5  

Literature
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SDS
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Tags:112559-91-8 Molecular Formula|112559-91-8 MDL|112559-91-8 SMILES|112559-91-8 Itraconazole metabolite Hydroxy Itraconazole