CS-1002782
Itraconazole Impurity 32
Manufacturer: ChemScene
CAS Number: 2227071-71-6
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₃H₃₆Cl₂N₈O₄
Molecular Weight
679.60
Synonyms
None
SMILES
O=C1N(N=CN1C2=CC=C(C=C2)NCCNC3=CC=C(OCC4OC(OC4)(C5=CC=C(Cl)C=C5Cl)CN6N=CN=C6)C=C3)C(C)CC
Tpsa
122.28
Logp
5.7747
H Acceptors
12
H Donors
2
Rotatable Bonds
14
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
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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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₃₆Cl₂N₈O₄
Molecular Weight: 679.60
Synonyms: None
SMILES: O=C1N(N=CN1C2=CC=C(C=C2)NCCNC3=CC=C(OCC4OC(OC4)(C5=CC=C(Cl)C=C5Cl)CN6N=CN=C6)C=C3)C(C)CC
Tpsa: 122.28
Logp: 5.7747
H Acceptors: 12
H Donors: 2
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₃₆Cl₂N₈O₄
Molecular Weight:
679.60
Synonyms:
None
SMILES:
O=C1N(N=CN1C2=CC=C(C=C2)NCCNC3=CC=C(OCC4OC(OC4)(C5=CC=C(Cl)C=C5Cl)CN6N=CN=C6)C=C3)C(C)CC
Tpsa:
122.28
Logp:
5.7747
H Acceptors:
12
H Donors:
2
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₂BrNO₃
Molecular Weight: 346.18
Synonyms: None
SMILES: N#CC1=CC=C(OC2=CC=C(Br)C(=C2)COC(=O)C)C=C1
Tpsa: 59.32
Logp: 4.17618
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₂BrNO₃
Molecular Weight:
346.18
Synonyms:
None
SMILES:
N#CC1=CC=C(OC2=CC=C(Br)C(=C2)COC(=O)C)C=C1
Tpsa:
59.32
Logp:
4.17618
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₄BNO₅
Molecular Weight: 393.24
Synonyms: None
SMILES: N#CC1=CC=C(OC2=CC=C(B3OC(C)(C)C(O3)(C)C)C(=C2)COC(=O)C)C=C1
Tpsa: 77.78
Logp: 3.71288
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₄BNO₅
Molecular Weight:
393.24
Synonyms:
None
SMILES:
N#CC1=CC=C(OC2=CC=C(B3OC(C)(C)C(O3)(C)C)C(=C2)COC(=O)C)C=C1
Tpsa:
77.78
Logp:
3.71288
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₁₉F₈N₃O₆
Molecular Weight: 657.46
Synonyms: None
SMILES: C(/C(=C/NC=1N=C(N/C=C(/C(=O)C2=C(F)C=C(F)C(F)=C2)\C(OCC)=O)C(F)=CC1F)/C(OCC)=O)(=O)C3=C(F)C=C(F)C(F)=C3
Tpsa: 123.69
Logp: 5.678
H Acceptors: 9
H Donors: 2
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₁₉F₈N₃O₆
Molecular Weight:
657.46
Synonyms:
None
SMILES:
C(/C(=C/NC=1N=C(N/C=C(/C(=O)C2=C(F)C=C(F)C(F)=C2)\C(OCC)=O)C(F)=CC1F)/C(OCC)=O)(=O)C3=C(F)C=C(F)C(F)=C3
Tpsa:
123.69
Logp:
5.678
H Acceptors:
9
H Donors:
2
Rotatable Bonds:
12