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CS-W001157 4
Total: USD 88.00

(4S,4aR,5S,5aR,6R,12aS)-2-acetyl-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-4a,5,5a,6-tetrahydrotetracene-1,11(4H,12aH)-dione Doxycycline Impurity

  • CAS No. 122861-53-4

  • Cat. No. CS-0165629
  • Purity≥98%
  • MDL No.None

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

(4S,4aR,5S,5aR,6R,12aS)-2-acetyl-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-4a,5,5a,6-tetrahydrotetracene-1,11(4H,12aH)-dione  Doxycycline Impurity|CS-0165629

Structure of 122861-53-4

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General Information

  • CAS No. 122861-53-4
  • Cat. No. CS-0165629
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₃H₂₅NO₈
  • Molecular Weight 443.45
  • Synonym(s) 2-Acetyl-2-decarbamoyldoxycycline
  • SMILES O=C1C(C(C)=O)=C(O)[C@@H](N(C)C)[C@@]2([H])[C@]1(O)C(O)=C(C(C3=C(O)C=CC=C3[C@@H]4C)=O)[C@]4([H])[C@@H]2O

Safety Information

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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   155.6
  • LogP   0.7561
  • H_Acceptors   9
  • H_Donors   5
  • Rotatable_Bonds   2

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