CS-1005253
Fluconazole Impurity 36
Manufacturer: ChemScene
CAS Number: 90855-21-3
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₁₃N₉O
Molecular Weight
275.27
Synonyms
None
SMILES
OC(CN1N=CN=C1)(CN2N=CN=C2)CN3C=NN=C3
Tpsa
112.36
Logp
-1.4074
H Acceptors
10
H Donors
1
Rotatable Bonds
6
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₃N₉O
Molecular Weight: 275.27
Synonyms: None
SMILES: OC(CN1N=CN=C1)(CN2N=CN=C2)CN3C=NN=C3
Tpsa: 112.36
Logp: -1.4074
H Acceptors: 10
H Donors: 1
Rotatable Bonds: 6
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₃N₉O
Molecular Weight:
275.27
Synonyms:
None
SMILES:
OC(CN1N=CN=C1)(CN2N=CN=C2)CN3C=NN=C3
Tpsa:
112.36
Logp:
-1.4074
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
6
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₃₁ClN₂O₅S
Molecular Weight: 422.97
Synonyms: None
SMILES: [C@@H](NC(=O)[C@@H]1CC(CCC)=CN1C)([C@H](C)Cl)[C@]2(O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[H]
Tpsa: 102.26
Logp: 0.6572
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 7
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₃₁ClN₂O₅S
Molecular Weight:
422.97
Synonyms:
None
SMILES:
[C@@H](NC(=O)[C@@H]1CC(CCC)=CN1C)([C@H](C)Cl)[C@]2(O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[H]
Tpsa:
102.26
Logp:
0.6572
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
7
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₃BrO₃
Molecular Weight: 225.08
Synonyms: None
SMILES: BrC1COC(OCC1O)(C)C
Tpsa: 38.69
Logp: 0.8937
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₃BrO₃
Molecular Weight:
225.08
Synonyms:
None
SMILES:
BrC1COC(OCC1O)(C)C
Tpsa:
38.69
Logp:
0.8937
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₄Cl₄N₂O
Molecular Weight: 416.13
Synonyms: None
SMILES: ClC1=CC=C(C(Cl)=C1)C(OCC2=CC(Cl)=CC=C2Cl)CN3C=NC=C3
Tpsa: 27.05
Logp: 6.4548
H Acceptors: 3
H Donors: 0
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:
C₁₈H₁₄Cl₄N₂O
Molecular Weight:
416.13
Synonyms:
None
SMILES:
ClC1=CC=C(C(Cl)=C1)C(OCC2=CC(Cl)=CC=C2Cl)CN3C=NC=C3
Tpsa:
27.05
Logp:
6.4548
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
6