CS-0376527

4-(4-(((3R,5R)-5-((1H-1,2,4-Triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methoxy)phenyl)-1-(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: 1902954-03-3

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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 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

Other Options

Image Product Name Manufacturer Price Range
BL17685
1902954-03-3 | Posaconazole Mono N-Oxide
A2B Chem --

SAFETY INFORMATION

Pictograms

N/A

Signal Word

N/A

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

N/A

Precautionary Statements

N/A

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Img

ChemScene

CS-0376527

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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 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

Img

ChemScene

CS-0376530

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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

Img

ChemScene

CS-0376555

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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:
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

Img

ChemScene

CS-0376560

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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:
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