CS-0531426
(3R,5R)-7-(2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(Phenylcarbamoyl)-1H-pyrrol-1-yl)-5-hydroxy-3-methoxyheptanoic acidheptanoic acid Atorvastatin Impurity
Manufacturer: ChemScene
CAS Number: 887324-53-0
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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
C₃₄H₃₇FN₂O₅
Molecular Weight
572.67
Synonyms
3-O-Methylatorvastatin
SMILES
O=C(C1=C(C(C)C)N(CC[C@@H](O)C[C@@H](OC)CC(O)=O)C(C2=CC=C(C=C2)F)=C1C3=CC=CC=C3)NC4=CC=CC=C4
Tpsa
100.79
Logp
6.9677
H Acceptors
5
H Donors
3
Rotatable Bonds
13
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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-P330-P362+P364-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: C₃₄H₃₇FN₂O₅
Molecular Weight: 572.67
Synonyms: 3-O-Methylatorvastatin
SMILES: O=C(C1=C(C(C)C)N(CC[C@@H](O)C[C@@H](OC)CC(O)=O)C(C2=CC=C(C=C2)F)=C1C3=CC=CC=C3)NC4=CC=CC=C4
Tpsa: 100.79
Logp: 6.9677
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 13
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₄H₃₇FN₂O₅
Molecular Weight:
572.67
Synonyms:
3-O-Methylatorvastatin
SMILES:
O=C(C1=C(C(C)C)N(CC[C@@H](O)C[C@@H](OC)CC(O)=O)C(C2=CC=C(C=C2)F)=C1C3=CC=CC=C3)NC4=CC=CC=C4
Tpsa:
100.79
Logp:
6.9677
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
13
Purity: 98%
MDL No: MFCD20270623
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₂N₂O₂
Molecular Weight: 250.34
Synonyms: Rivastigmine impurity D
SMILES: CCN(C)C(OC1=CC([C@@H](C)N(C)C)=CC=C1)=O
Tpsa: 32.78
Logp: 2.7597
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
MFCD20270623
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₂N₂O₂
Molecular Weight:
250.34
Synonyms:
Rivastigmine impurity D
SMILES:
CCN(C)C(OC1=CC([C@@H](C)N(C)C)=CC=C1)=O
Tpsa:
32.78
Logp:
2.7597
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃ClO₂
Molecular Weight: 224.68
Synonyms: (2-Chlorophenyl) (1-hydroxycyclopentyl) ketone
SMILES: O=C(C1(CCCC1)O)C2=C(Cl)C=CC=C2
Tpsa: 37.3
Logp: 2.8278
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃ClO₂
Molecular Weight:
224.68
Synonyms:
(2-Chlorophenyl) (1-hydroxycyclopentyl) ketone
SMILES:
O=C(C1(CCCC1)O)C2=C(Cl)C=CC=C2
Tpsa:
37.3
Logp:
2.8278
H Acceptors:
2
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: C₂₅H₂₆ClNO₆
Molecular Weight: 471.93
Synonyms: Acemetacin EP Impurity D/6-t-Butyl Acemetacin/[[[1-(4-Chlorobenzoyl)-6-(1,1-dimethylethyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]acetic acid
SMILES: O=C(COC(CC1=C(C)N(C(C2=CC=C(C=C2)Cl)=O)C3=C1C=C(C(C(C)(C)C)=C3)OC)=O)O
Tpsa: 94.83
Logp: 4.76802
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₆ClNO₆
Molecular Weight:
471.93
Synonyms:
Acemetacin EP Impurity D/6-t-Butyl Acemetacin/[[[1-(4-Chlorobenzoyl)-6-(1,1-dimethylethyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]acetic acid
SMILES:
O=C(COC(CC1=C(C)N(C(C2=CC=C(C=C2)Cl)=O)C3=C1C=C(C(C(C)(C)C)=C3)OC)=O)O
Tpsa:
94.83
Logp:
4.76802
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
6