CS-0533458
(1R,3aS,3bS,4R,9aR,9bS,9cS,10aR,10bR)-Methyl 9a,10b-dimethyl-5',7-dioxo-2,3,3a,3b,4,4',5,5',7,8,9,9a,9b,9c,10a,10b-hexadecahydro-3'H-spiro[cyclopenta[1,2]phenanthro[3,4-b]oxirene-1,2'-furan]-4-carboxylate Eplerenone Impurity
Manufacturer: ChemScene
CAS Number: 192704-82-8
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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
C₂₄H₃₀O₆
Molecular Weight
414.49
Synonyms
Eplerenone Impurity B
SMILES
C[C@@]12[C@]3(CCC(O3)=O)CC[C@@]1([H])[C@@]4([H])[C@]([C@@]5(C(C[C@H]4C(OC)=O)=CC(CC5)=O)C)([H])[C@@]6([H])[C@]2([H])O6
Tpsa
82.2
Logp
2.9804
H Acceptors
6
H Donors
0
Rotatable Bonds
1
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: C₂₄H₃₀O₆
Molecular Weight: 414.49
Synonyms: Eplerenone Impurity B
SMILES: C[C@@]12[C@]3(CCC(O3)=O)CC[C@@]1([H])[C@@]4([H])[C@]([C@@]5(C(C[C@H]4C(OC)=O)=CC(CC5)=O)C)([H])[C@@]6([H])[C@]2([H])O6
Tpsa: 82.2
Logp: 2.9804
H Acceptors: 6
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:
C₂₄H₃₀O₆
Molecular Weight:
414.49
Synonyms:
Eplerenone Impurity B
SMILES:
C[C@@]12[C@]3(CCC(O3)=O)CC[C@@]1([H])[C@@]4([H])[C@]([C@@]5(C(C[C@H]4C(OC)=O)=CC(CC5)=O)C)([H])[C@@]6([H])[C@]2([H])O6
Tpsa:
82.2
Logp:
2.9804
H Acceptors:
6
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: C₂₂H₂₂O₈
Molecular Weight: 414.41
Synonyms: Etoposide impurity J [EP]
SMILES: O=C1[C@]2([H])[C@@](C3=CC(OC)=C(C(OC)=C3)O)([H])C4=CC(OCO5)=C5C=C4[C@H]([C@@]2([H])CO1)OC
Tpsa: 92.68
Logp: 2.7603
H Acceptors: 8
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:
C₂₂H₂₂O₈
Molecular Weight:
414.41
Synonyms:
Etoposide impurity J [EP]
SMILES:
O=C1[C@]2([H])[C@@](C3=CC(OC)=C(C(OC)=C3)O)([H])C4=CC(OCO5)=C5C=C4[C@H]([C@@]2([H])CO1)OC
Tpsa:
92.68
Logp:
2.7603
H Acceptors:
8
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: C₁₈H₂₁N₃O₄
Molecular Weight: 343.38
Synonyms: Defluoroofloxacin
SMILES: O=C(C1=CN2C3=C(C(N4CCN(CC4)C)=CC=C3C1=O)OCC2C)O
Tpsa: 75.01
Logp: 1.4049
H Acceptors: 6
H Donors: 1
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:
C₁₈H₂₁N₃O₄
Molecular Weight:
343.38
Synonyms:
Defluoroofloxacin
SMILES:
O=C(C1=CN2C3=C(C(N4CCN(CC4)C)=CC=C3C1=O)OCC2C)O
Tpsa:
75.01
Logp:
1.4049
H Acceptors:
6
H Donors:
1
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: C₃₄H₃₆Cl₂N₈O₄
Molecular Weight: 691.61
Synonyms: Isopropyl Itraconazole
SMILES: O=C(N(N=C1)C(C)C)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: 5.1872
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 10
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:
Isopropyl Itraconazole
SMILES:
O=C(N(N=C1)C(C)C)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:
5.1872
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
10