CS-0376526
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-oxide (Posaconazole Impurity)
Manufacturer: ChemScene
CAS Number: 1902954-05-5
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₃₇H₄₂F₂N₈O₅
Molecular Weight
716.78
Synonyms
posaconazole N-Oxide impurity 2
SMILES
[O-][N+]1(CCN(C2=CC=C(N3C(N(N=C3)[C@@H](CC)[C@@H](O)C)=O)C=C2)CC1)C(C=C4)=CC=C4OC[C@H](CO5)C[C@@]5(C6=C(C=C(C=C6)F)F)CN7C=NC=N7
Tpsa
N/A
Logp
N/A
H Acceptors
N/A
H Donors
N/A
Rotatable Bonds
N/A
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Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₄₂F₂N₈O₅
Molecular Weight: 716.78
Synonyms: posaconazole N-Oxide impurity 2
SMILES: [O-][N+]1(CCN(C2=CC=C(N3C(N(N=C3)[C@@H](CC)[C@@H](O)C)=O)C=C2)CC1)C(C=C4)=CC=C4OC[C@H](CO5)C[C@@]5(C6=C(C=C(C=C6)F)F)CN7C=NC=N7
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₂F₂N₈O₅
Molecular Weight:
716.78
Synonyms:
posaconazole N-Oxide impurity 2
SMILES:
[O-][N+]1(CCN(C2=CC=C(N3C(N(N=C3)[C@@H](CC)[C@@H](O)C)=O)C=C2)CC1)C(C=C4)=CC=C4OC[C@H](CO5)C[C@@]5(C6=C(C=C(C=C6)F)F)CN7C=NC=N7
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₇H₄₂F₂N₈O₅
Molecular Weight: 716.78
Synonyms: posaconazole N-Oxide impurity 3
SMILES: [O-][N+](CC1)(C2=CC=C(N3C(N(N=C3)[C@@H](CC)[C@@H](O)C)=O)C=C2)CCN1C(C=C4)=CC=C4OC[C@H](CO5)C[C@@]5(C6=C(C=C(C=C6)F)F)CN7C=NC=N7
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₂F₂N₈O₅
Molecular Weight:
716.78
Synonyms:
posaconazole N-Oxide impurity 3
SMILES:
[O-][N+](CC1)(C2=CC=C(N3C(N(N=C3)[C@@H](CC)[C@@H](O)C)=O)C=C2)CCN1C(C=C4)=CC=C4OC[C@H](CO5)C[C@@]5(C6=C(C=C(C=C6)F)F)CN7C=NC=N7
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
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