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CS-W001157 4
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3-Oxo-4-aza-5α-androst-1-ene-17β-carboxylic acid

  • CAS No. 104239-97-6

  • Cat. No. CS-M2829
  • Purity≥98%
  • MDL No.MFCD08063794

*For research and further manufacturing use only, not for direct human use.

3-Oxo-4-aza-5α-androst-1-ene-17β-carboxylic acid|CS-M2829

Structure of 104239-97-6

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General Information

  • CAS No. 104239-97-6
  • Cat. No. CS-M2829
  • Purity ≥98%
  • MDL No. MFCD08063794
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₇NO₃
  • Molecular Weight 317.42
  • Synonym(s) 4-Aza-5a-androstan-1-ene-3-one-17b-carboxylic acid
  • SMILES O=C1C=C[C@@]2(C)[C@](CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@@H]4C(O)=O)([H])N1

Synthesis

  • Route1

    References

    • Bhattacharya, Apurba; DiMichele, Lisa M.; Dolling, Ulf-H.; Douglas, Alan W.; Grabowski, Edward J. J. Journal of the American Chemical Society, 1988 , vol. 110, # 10 p. 3318 - 3319
  • Route2
    • null|null
      149198-45-8
    • ~%
    • In-stock
      3-Oxo-4-aza-5α-androst-1-ene-17β-carboxylic acid|CS-M2829
      104239-97-6

    References

    • WO2013/1322 A1, ; Page/Page column 30; 55 ;
  • Route3
    • Dutasteride impurity 1|CS-0531731
      103335-41-7
    • ~%
    • In-stock
      3-Oxo-4-aza-5α-androst-1-ene-17β-carboxylic acid|CS-M2829
      104239-97-6

    References

    • WO2012/35553 A1, ; Page/Page column 17 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   66.4
  • LogP   2.9844
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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