CS-0376530
1-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)-4-(4-(1-((2S,3S)-2-hydroxypentan-3-yl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)phenyl)piperazine 1,4-dioxide Posaconazole Impurity
Manufacturer: ChemScene
CAS Number: 1902957-95-2
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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
C₃₇H₄₂F₂N₈O₆
Molecular Weight
732.78
Synonyms
posaconazoleN-Oxide impurity
SMILES
[O-][N+]1(CC[N+](CC1)(C2=CC=C(N3C(N(N=C3)[C@@H](CC)[C@@H](O)C)=O)C=C2)[O-])C(C=C4)=CC=C4OC[C@H](CO5)C[C@@]5(C6=C(C=C(C=C6)F)F)CN7C=NC=N7
Tpsa
155.34
Logp
4.5706
H Acceptors
12
H Donors
1
Rotatable Bonds
12
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1902957-95-2 | PosaconazolePiperazineDioxide | A2B Chem | -- |
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: C₃₇H₄₂F₂N₈O₆
Molecular Weight: 732.78
Synonyms: posaconazoleN-Oxide impurity
SMILES: [O-][N+]1(CC[N+](CC1)(C2=CC=C(N3C(N(N=C3)[C@@H](CC)[C@@H](O)C)=O)C=C2)[O-])C(C=C4)=CC=C4OC[C@H](CO5)C[C@@]5(C6=C(C=C(C=C6)F)F)CN7C=NC=N7
Tpsa: 155.34
Logp: 4.5706
H Acceptors: 12
H Donors: 1
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:
C₃₇H₄₂F₂N₈O₆
Molecular Weight:
732.78
Synonyms:
posaconazoleN-Oxide impurity
SMILES:
[O-][N+]1(CC[N+](CC1)(C2=CC=C(N3C(N(N=C3)[C@@H](CC)[C@@H](O)C)=O)C=C2)[O-])C(C=C4)=CC=C4OC[C@H](CO5)C[C@@]5(C6=C(C=C(C=C6)F)F)CN7C=NC=N7
Tpsa:
155.34
Logp:
4.5706
H Acceptors:
12
H Donors:
1
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: C₃₅H₄₀F₂N₈O₄
Molecular Weight: 674.74
Synonyms: Posaconazole Impurity 40
SMILES: O=C(N(N=C1)[C@@H](CC)[C@@H](O)C)N1C(C=C2)=CC=C2NCCNC(C=C3)=CC=C3OC[C@H](CO4)C[C@@]4(C5=C(C=C(C=C5)F)F)CN6C=NC=N6
Tpsa: 133.28
Logp: 4.7706
H Acceptors: 12
H Donors: 3
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₅H₄₀F₂N₈O₄
Molecular Weight:
674.74
Synonyms:
Posaconazole Impurity 40
SMILES:
O=C(N(N=C1)[C@@H](CC)[C@@H](O)C)N1C(C=C2)=CC=C2NCCNC(C=C3)=CC=C3OC[C@H](CO4)C[C@@]4(C5=C(C=C(C=C5)F)F)CN6C=NC=N6
Tpsa:
133.28
Logp:
4.7706
H Acceptors:
12
H Donors:
3
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₄₀F₂N₈O₆
Molecular Weight: 730.76
Synonyms: Posaconazole Impurity B
SMILES: O=CN(C1=CC=C(N2C(N(N=C2)[C@@H](CC)[C@@H](O)C)=O)C=C1)CCN(C=O)C(C=C3)=CC=C3OC[C@H](CO4)C[C@@]4(C5=C(C=C(C=C5)F)F)CN6C=NC=N6
Tpsa: 149.84
Logp: 3.8724
H Acceptors: 12
H Donors: 1
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₀F₂N₈O₆
Molecular Weight:
730.76
Synonyms:
Posaconazole Impurity B
SMILES:
O=CN(C1=CC=C(N2C(N(N=C2)[C@@H](CC)[C@@H](O)C)=O)C=C1)CCN(C=O)C(C=C3)=CC=C3OC[C@H](CO4)C[C@@]4(C5=C(C=C(C=C5)F)F)CN6C=NC=N6
Tpsa:
149.84
Logp:
3.8724
H Acceptors:
12
H Donors:
1
Rotatable Bonds:
17
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₇ClN₂O₃S₂
Molecular Weight: 515.09
Synonyms: (S)-L-660711
SMILES: CN(C)C(CCS[C@@H](SCCC(O)=O)C1=CC=CC(/C=C/C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1)=O
Tpsa: 70.5
Logp: 6.4766
H Acceptors: 5
H Donors: 1
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:
C₂₆H₂₇ClN₂O₃S₂
Molecular Weight:
515.09
Synonyms:
(S)-L-660711
SMILES:
CN(C)C(CCS[C@@H](SCCC(O)=O)C1=CC=CC(/C=C/C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1)=O
Tpsa:
70.5
Logp:
6.4766
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
11