CS-0533446
rel-4-(4-(4-(4-(((2R,4S)-2-((4H-1,2,4-Triazol-4-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)phenyl)-1-(sec-butyl)-1H-1,2,4-triazol-5(4H)-one Itraconazole Impurity
Manufacturer: ChemScene
CAS Number: 854372-77-3
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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
C₃₅H₃₈Cl₂N₈O₄
Molecular Weight
705.63
Synonyms
Itraconazole Impurity B
SMILES
O=C(N(N=C1)C(C)CC)N1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](CO5)O[C@]5(C6=C(C=C(C=C6)Cl)Cl)CN7C=NN=C7
Tpsa
104.7
Logp
5.5773
H Acceptors
12
H Donors
0
Rotatable Bonds
11
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 854372-77-3 | (1,2,4-Triazol-4-yl) Itraconazole | A2B Chem | -- |
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-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: C₃₅H₃₈Cl₂N₈O₄
Molecular Weight: 705.63
Synonyms: Itraconazole Impurity B
SMILES: O=C(N(N=C1)C(C)CC)N1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](CO5)O[C@]5(C6=C(C=C(C=C6)Cl)Cl)CN7C=NN=C7
Tpsa: 104.7
Logp: 5.5773
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₅H₃₈Cl₂N₈O₄
Molecular Weight:
705.63
Synonyms:
Itraconazole Impurity B
SMILES:
O=C(N(N=C1)C(C)CC)N1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](CO5)O[C@]5(C6=C(C=C(C=C6)Cl)Cl)CN7C=NN=C7
Tpsa:
104.7
Logp:
5.5773
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₆
Molecular Weight: 232.32
Synonyms: 5-Prop-2-en-1-ylidene-10,11-dihydro-5H-dibenzo(a,d)(7)annulene
SMILES: C=C/C=C1C2=C(CCC3=C\1C=CC=C3)C=CC=C2
Tpsa: 0
Logp: 4.4029
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₆
Molecular Weight:
232.32
Synonyms:
5-Prop-2-en-1-ylidene-10,11-dihydro-5H-dibenzo(a,d)(7)annulene
SMILES:
C=C/C=C1C2=C(CCC3=C\1C=CC=C3)C=CC=C2
Tpsa:
0
Logp:
4.4029
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₄H₃₆Cl₂N₈O₄
Molecular Weight: 691.61
Synonyms: Itraconazole Impurity C
SMILES: O=C(N(N=C1)CCC)N1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](CO5)O[C@]5(C6=C(C=C(C=C6)Cl)Cl)CN7C=NC=N7
Tpsa: 104.7
Logp: 5.0163
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₆Cl₂N₈O₄
Molecular Weight:
691.61
Synonyms:
Itraconazole Impurity C
SMILES:
O=C(N(N=C1)CCC)N1C(C=C2)=CC=C2N(CC3)CCN3C(C=C4)=CC=C4OC[C@@H](CO5)O[C@]5(C6=C(C=C(C=C6)Cl)Cl)CN7C=NC=N7
Tpsa:
104.7
Logp:
5.0163
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: MFCD28671468
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈BrN₅
Molecular Weight: 266.10
Synonyms: 1-(5-Bromoquinoxalin-6-yl)guanidine
SMILES: BrC1=C2N=CC=NC2=CC=C1NC(N)=N
Tpsa: 87.68
Logp: 1.69767
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD28671468
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈BrN₅
Molecular Weight:
266.10
Synonyms:
1-(5-Bromoquinoxalin-6-yl)guanidine
SMILES:
BrC1=C2N=CC=NC2=CC=C1NC(N)=N
Tpsa:
87.68
Logp:
1.69767
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
1