CS-1005445
Eplerenone Impurity 12
Manufacturer: ChemScene
CAS Number: 95716-74-8
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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
C₂₃H₂₈O₅
Molecular Weight
384.47
Synonyms
None
SMILES
C[C@@]12[C@]3(CC[C@]1([C@]4(C(=CC2)[C@]5(C)C(C[C@H]4C(O)=O)=CC(=O)CC5)[H])[H])OC(=O)CC3
Tpsa
80.67
Logp
3.8249
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₂₈O₅
Molecular Weight: 384.47
Synonyms: None
SMILES: C[C@@]12[C@]3(CC[C@]1([C@]4(C(=CC2)[C@]5(C)C(C[C@H]4C(O)=O)=CC(=O)CC5)[H])[H])OC(=O)CC3
Tpsa: 80.67
Logp: 3.8249
H Acceptors: 4
H Donors: 1
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:
C₂₃H₂₈O₅
Molecular Weight:
384.47
Synonyms:
None
SMILES:
C[C@@]12[C@]3(CC[C@]1([C@]4(C(=CC2)[C@]5(C)C(C[C@H]4C(O)=O)=CC(=O)CC5)[H])[H])OC(=O)CC3
Tpsa:
80.67
Logp:
3.8249
H Acceptors:
4
H Donors:
1
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: C₂₅H₃₃ClO₅
Molecular Weight: 448.98
Synonyms: None
SMILES: O(C(CC)=O)[C@@]1(C(CCl)=O)[C@]2(C)[C@@](C[C@@H]1C)([C@]3([C@]([C@@H](O)C2)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])[H]
Tpsa: 80.67
Logp: 4.011
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₃ClO₅
Molecular Weight:
448.98
Synonyms:
None
SMILES:
O(C(CC)=O)[C@@]1(C(CCl)=O)[C@]2(C)[C@@](C[C@@H]1C)([C@]3([C@]([C@@H](O)C2)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])[H]
Tpsa:
80.67
Logp:
4.011
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: C₂₀H₁₈O
Molecular Weight: 274.36
Synonyms: None
SMILES: O(C1=CC=CC(=C1)C)C(C=2C=CC=CC2)C=3C=CC=CC3
Tpsa: 9.23
Logp: 5.16342
H Acceptors: 1
H Donors: 0
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:
C₂₀H₁₈O
Molecular Weight:
274.36
Synonyms:
None
SMILES:
O(C1=CC=CC(=C1)C)C(C=2C=CC=CC2)C=3C=CC=CC3
Tpsa:
9.23
Logp:
5.16342
H Acceptors:
1
H Donors:
0
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: C₈H₁₀ClNO₃S
Molecular Weight: 235.69
Synonyms: None
SMILES: C(O)(=O)[C@@H]1N2[C@](S[C@]1(CCl)C)(CC2=O)[H]
Tpsa: 57.61
Logp: 0.7423
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₀ClNO₃S
Molecular Weight:
235.69
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1N2[C@](S[C@]1(CCl)C)(CC2=O)[H]
Tpsa:
57.61
Logp:
0.7423
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2