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42219-60-3,MFCD09840783
Catalog No.:AA00C9IS

42219-60-3 | 6b-Hydroxy-7a-(thiomethyl) Spironolactone

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C9IS
Chemical Name:
6b-Hydroxy-7a-(thiomethyl) Spironolactone
CAS Number:
42219-60-3
Molecular Formula:
C23H32O4S
Molecular Weight:
404.5628
MDL Number:
MFCD09840783
SMILES:
CS[C@@H]1[C@@H](O)C2=CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@]3([C@]1(CC2)C)CCC(=O)O3)C
Properties
Computed Properties
 
Complexity:
762  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2  

Literature
Quotation Request
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SDS
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Tags:42219-60-3 Molecular Formula|42219-60-3 MDL|42219-60-3 SMILES|42219-60-3 6b-Hydroxy-7a-(thiomethyl) Spironolactone
Catalog No.: AA00C9IS
42219-60-3,MFCD09840783
42219-60-3 | 6b-Hydroxy-7a-(thiomethyl) Spironolactone
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00C9IS
Chemical Name: 6b-Hydroxy-7a-(thiomethyl) Spironolactone
CAS Number: 42219-60-3
Molecular Formula: C23H32O4S
Molecular Weight: 404.5628
MDL Number: MFCD09840783
SMILES: CS[C@@H]1[C@@H](O)C2=CC(=O)CC[C@@]2([C@@H]2[C@@H]1[C@@H]1CC[C@]3([C@]1(CC2)C)CCC(=O)O3)C
Properties
Complexity: 762  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 8  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 28  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2  
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