CS-0533461
rel-4-(4-(4-(4-(((2R,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-isopropyl-1H-1,2,4-triazol-5(4H)-one Itraconazole Impurity
Manufacturer: ChemScene
CAS Number: 89848-49-7
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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
C₃₄H₃₆Cl₂N₈O₄
Molecular Weight
691.61
Synonyms
Isopropyl Itraconazole
SMILES
O=C(N(N=C1)C(C)C)N1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](CO5)O[C@]5(C6=C(C=C(C=C6)Cl)Cl)CN7C=NC=N7
Tpsa
104.7
Logp
5.1872
H Acceptors
12
H Donors
0
Rotatable Bonds
10
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 89848-49-7 | Isopropyl Itraconazole | A2B Chem | ₹ 82,058.00 - ₹ 6,86,991.00 |
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: C₃₄H₃₆Cl₂N₈O₄
Molecular Weight: 691.61
Synonyms: Isopropyl Itraconazole
SMILES: O=C(N(N=C1)C(C)C)N1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](CO5)O[C@]5(C6=C(C=C(C=C6)Cl)Cl)CN7C=NC=N7
Tpsa: 104.7
Logp: 5.1872
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 10
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₆Cl₂N₈O₄
Molecular Weight:
691.61
Synonyms:
Isopropyl Itraconazole
SMILES:
O=C(N(N=C1)C(C)C)N1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](CO5)O[C@]5(C6=C(C=C(C=C6)Cl)Cl)CN7C=NC=N7
Tpsa:
104.7
Logp:
5.1872
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₀O₆
Molecular Weight: 414.49
Synonyms: Eplerenone EP Impurity E
SMILES: C[C@@]12[C@]34[C@]([C@H](CC1=CC(CC2)=O)C(OC)=O)([H])[C@@]5([H])[C@](C[C@@]3([H])O4)([C@]6(CCC(O6)=O)CC5)C
Tpsa: 82.2
Logp: 3.1245
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₀O₆
Molecular Weight:
414.49
Synonyms:
Eplerenone EP Impurity E
SMILES:
C[C@@]12[C@]34[C@]([C@H](CC1=CC(CC2)=O)C(OC)=O)([H])[C@@]5([H])[C@](C[C@@]3([H])O4)([C@]6(CCC(O6)=O)CC5)C
Tpsa:
82.2
Logp:
3.1245
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₄H₃₆Cl₂N₈O₄
Molecular Weight: 691.61
Synonyms: trans-Itraconazole
SMILES: O=C(N(N=C1)CCC)N1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](CO5)O[C@@]5(C6=C(C=C(C=C6)Cl)Cl)CN7C=NC=N7
Tpsa: 104.7
Logp: 5.0163
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₆Cl₂N₈O₄
Molecular Weight:
691.61
Synonyms:
trans-Itraconazole
SMILES:
O=C(N(N=C1)CCC)N1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](CO5)O[C@@]5(C6=C(C=C(C=C6)Cl)Cl)CN7C=NC=N7
Tpsa:
104.7
Logp:
5.0163
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₁KO₇
Molecular Weight: 470.60
Synonyms: Eplerenone Hydroxyacid Potassium Salt
SMILES: C[C@@]12[C@]34[C@]([C@@H](CC1=CC(CC2)=O)C(OC)=O)([H])[C@@]5([H])[C@](C[C@@]3([H])O4)([C@@](O)(CC5)CCC(O[K])=O)C
Tpsa: 102.43
Logp: 2.1867
H Acceptors: 7
H Donors: 1
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:
C₂₄H₃₁KO₇
Molecular Weight:
470.60
Synonyms:
Eplerenone Hydroxyacid Potassium Salt
SMILES:
C[C@@]12[C@]34[C@]([C@@H](CC1=CC(CC2)=O)C(OC)=O)([H])[C@@]5([H])[C@](C[C@@]3([H])O4)([C@@](O)(CC5)CCC(O[K])=O)C
Tpsa:
102.43
Logp:
2.1867
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
4