CS-1001981
Ketoconazole Impurity 39; Itraconazole Impurity 2
Manufacturer: ChemScene
CAS Number: 170210-46-5
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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
C₁₈H₁₅BrCl₂O₄
Molecular Weight
446.12
Synonyms
None
SMILES
C(Br)[C@@]1(O[C@H](COC(=O)C2=CC=CC=C2)CO1)C3=C(Cl)C=C(Cl)C=C3
Tpsa
44.76
Logp
4.8135
H Acceptors
4
H Donors
0
Rotatable Bonds
5
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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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₅BrCl₂O₄
Molecular Weight: 446.12
Synonyms: None
SMILES: C(Br)[C@@]1(O[C@H](COC(=O)C2=CC=CC=C2)CO1)C3=C(Cl)C=C(Cl)C=C3
Tpsa: 44.76
Logp: 4.8135
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₅BrCl₂O₄
Molecular Weight:
446.12
Synonyms:
None
SMILES:
C(Br)[C@@]1(O[C@H](COC(=O)C2=CC=CC=C2)CO1)C3=C(Cl)C=C(Cl)C=C3
Tpsa:
44.76
Logp:
4.8135
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₆ClN₅
Molecular Weight: 371.91
Synonyms: None
SMILES: N(C)(C1=C2C(=NC=N1)NC=C2)[C@H]3CN(CC4=CC=CC=C4)CC[C@H]3C.Cl
Tpsa: 48.05
Logp: 3.7265
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₆ClN₅
Molecular Weight:
371.91
Synonyms:
None
SMILES:
N(C)(C1=C2C(=NC=N1)NC=C2)[C@H]3CN(CC4=CC=CC=C4)CC[C@H]3C.Cl
Tpsa:
48.05
Logp:
3.7265
H Acceptors:
4
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: C₁₀H₁₀N₈O
Molecular Weight: 258.24
Synonyms: None
SMILES: O=C(NC)C=1C=NN(C1)C2=NC=3N=CNC3C(=N2)N
Tpsa: 127.4
Logp: -0.5196
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀N₈O
Molecular Weight:
258.24
Synonyms:
None
SMILES:
O=C(NC)C=1C=NN(C1)C2=NC=3N=CNC3C(=N2)N
Tpsa:
127.4
Logp:
-0.5196
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₆BrFN₂
Molecular Weight: 205.03
Synonyms: None
SMILES: FC=1C(Br)=NC=NC1CC
Tpsa: 25.78
Logp: 1.9406
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₆BrFN₂
Molecular Weight:
205.03
Synonyms:
None
SMILES:
FC=1C(Br)=NC=NC1CC
Tpsa:
25.78
Logp:
1.9406
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1