CS-1002053
Posaconazole Impurity 119
Manufacturer: ChemScene
CAS Number: 175889-69-7
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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
C₁₄H₁₅F₂N₃O₂
Molecular Weight
295.28
Synonyms
None
SMILES
C([C@]1(C[C@H](CO)CO1)C2=C(F)C=C(F)C=C2)N3C=NC=N3
Tpsa
60.17
Logp
1.4806
H Acceptors
5
H Donors
1
Rotatable Bonds
4
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₁₄H₁₅F₂N₃O₂
Molecular Weight: 295.28
Synonyms: None
SMILES: C([C@]1(C[C@H](CO)CO1)C2=C(F)C=C(F)C=C2)N3C=NC=N3
Tpsa: 60.17
Logp: 1.4806
H Acceptors: 5
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:
C₁₄H₁₅F₂N₃O₂
Molecular Weight:
295.28
Synonyms:
None
SMILES:
C([C@]1(C[C@H](CO)CO1)C2=C(F)C=C(F)C=C2)N3C=NC=N3
Tpsa:
60.17
Logp:
1.4806
H Acceptors:
5
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: C₂₇H₄₀O₃
Molecular Weight: 412.60
Synonyms: None
SMILES: C[C@@]12[C@](C(/C=C\C3=C(C)[C@@H](O)C[C@H](O)C3)=CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](O)C4CC4)C)[H])[H]
Tpsa: 60.69
Logp: 5.0906
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₄₀O₃
Molecular Weight:
412.60
Synonyms:
None
SMILES:
C[C@@]12[C@](C(/C=C\C3=C(C)[C@@H](O)C[C@H](O)C3)=CCC1)(CC[C@@]2([C@@H](/C=C/[C@@H](O)C4CC4)C)[H])[H]
Tpsa:
60.69
Logp:
5.0906
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₄CaN₄O₈ ₂-
Molecular Weight: 440.46
Synonyms: None
SMILES: O=C1[O-][Ca+2]234567[O-]C(=O)C[N]87CC[N]6(C1)CC[N]5(CC(=O)[O-]2)CC[N]4(CC(=O)[O-]3)CC8
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:
C₁₆H₂₄CaN₄O₈ ₂-
Molecular Weight:
440.46
Synonyms:
None
SMILES:
O=C1[O-][Ca+2]234567[O-]C(=O)C[N]87CC[N]6(C1)CC[N]5(CC(=O)[O-]2)CC[N]4(CC(=O)[O-]3)CC8
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: C₁₂H₂₈N₄O₃
Molecular Weight: 276.38
Synonyms: None
SMILES: OCC(O)C(N1CCNCCNCCNCC1)CO
Tpsa: 100.02
Logp: -3.2151
H Acceptors: 7
H Donors: 6
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:
C₁₂H₂₈N₄O₃
Molecular Weight:
276.38
Synonyms:
None
SMILES:
OCC(O)C(N1CCNCCNCCNCC1)CO
Tpsa:
100.02
Logp:
-3.2151
H Acceptors:
7
H Donors:
6
Rotatable Bonds:
4