2,2,2-Trifluoro-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)acetamide Doxorubicin Impurity

Name: 2,2,2-Trifluoro-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)acetamide Doxorubicin Impurity
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CAS No. 26295-56-7
Cat. No. CS-0497732
Purity≥98%
MDL No.None

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2,2,2-Trifluoro-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)acetamide Doxorubicin Impurity|CS-0497732

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General Information
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Computational Chemistry Data

General Information

CAS No. 26295-56-7
Cat. No. CS-0497732
Purity ≥98%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₉H₂₈F₃NO₁₂
Molecular Weight 639.53
Synonym(s) N-Trifluoroacetyladriamycin (Impurity)
SMILES OC1=C(C(C2=CC=CC(OC)=C2C3=O)=O)C3=C(O)C4=C1C[C@](C(CO)=O)(O)C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(C(F)(F)F)=O

Synthesis

Route1
- In-stock
  
  383-64-2
- 25316-40-9
- ~86%
- 26295-56-7
References
- Acton; Tong Journal of Medicinal Chemistry, 1981 , vol. 24, # 6 p. 669 - 673
Route2
- 25316-40-9
- 407-25-0
- ~88%
- 26295-56-7
References
- Zhang, Yifei; Dai, Yang; Hou, Miao; Li, Tian; Ge, Jun; Liu, Zheng RSC Advances, 2013 , vol. 3, # 45 p. 22963 - 22966
Route3
- 23214-92-8
- ~82%
- 26295-56-7
References
- Berube; Richardson; Ford Synthetic Communications, 1991 , vol. 21, # 7 p. 931 - 944

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

Quality Control

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Computational Chemistry Data

TPSA 209.15
LogP 0.7211
H_Acceptors 12
H_Donors 6
Rotatable_Bonds 6

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2,2,2-Trifluoro-N-((2S,3S,4S,6R)-3-hydroxy-2-methyl-6-(((1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)tetrahydro-2H-pyran-4-yl)acetamide Doxorubicin Impurity

CAS No. 26295-56-7

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