CS-1004806
Ketoconazole Impurity 41; Itraconazole Impurity 4
Manufacturer: ChemScene
CAS Number: 769121-73-5
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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
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
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: 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:
98%
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂NaO₂
Molecular Weight: 163.17
Synonyms: None
SMILES: [Na].O=C(O)C(CC=C)CC=C
Tpsa: 37.3
Logp: 1.4586
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂NaO₂
Molecular Weight:
163.17
Synonyms:
None
SMILES:
[Na].O=C(O)C(CC=C)CC=C
Tpsa:
37.3
Logp:
1.4586
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₁NO₄
Molecular Weight: 185.18
Synonyms: None
SMILES: O=C1NC(=C(O)C(=C1CO)CO)C
Tpsa: 93.55
Logp: -0.62648
H Acceptors: 4
H Donors: 4
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:
C₈H₁₁NO₄
Molecular Weight:
185.18
Synonyms:
None
SMILES:
O=C1NC(=C(O)C(=C1CO)CO)C
Tpsa:
93.55
Logp:
-0.62648
H Acceptors:
4
H Donors:
4
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: C₂₉H₃₆O₁₅
Molecular Weight: 624.59
Synonyms: None
SMILES: O(C)C1=C2C(O[C@@H](CC2=O)C3=CC(O)=C(OC)C=C3)=CC(O[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@H]4O)=C1
Tpsa: 223.29
Logp: -0.8536
H Acceptors: 15
H Donors: 7
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₃₆O₁₅
Molecular Weight:
624.59
Synonyms:
None
SMILES:
O(C)C1=C2C(O[C@@H](CC2=O)C3=CC(O)=C(OC)C=C3)=CC(O[C@@H]4O[C@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@H](O)[C@H]4O)=C1
Tpsa:
223.29
Logp:
-0.8536
H Acceptors:
15
H Donors:
7
Rotatable Bonds:
8