CS-0531464
(3R,5R)-7-((3R,5R)-7-(2-(4-Fuorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanamido)-3,5-dihydroxyheptanoic acid, calcium salt Atorvastatin Impurity
Manufacturer: ChemScene
CAS Number: 1105067-87-5
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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
C₄₀H₄₇FN₃O₈.₁/₂Ca
Molecular Weight
736.86
Synonyms
Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide
SMILES
O=C(C1=C(C(C)C)N(CC[C@@H](O)C[C@@H](O)CC(NCC[C@@H](O)C[C@@H](O)CC([O-])=O)=O)C(C2=CC=C(C=C2)F)=C1C3=CC=CC=C3)NC4=CC=CC=C4.[Ca+2].[1/2]
Tpsa
184.18
Logp
4.2425
H Acceptors
9
H Donors
6
Rotatable Bonds
19
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1105067-87-5 | Calcium (3R,5R)-7-[[(3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]-3,5-dihydroxy-1-oxoheptyl]amino]-3,5-dihydroxyheptanoate | A2B Chem | ₹ 74,779.44 |
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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
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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: C₄₀H₄₇FN₃O₈.₁/₂Ca
Molecular Weight: 736.86
Synonyms: Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide
SMILES: O=C(C1=C(C(C)C)N(CC[C@@H](O)C[C@@H](O)CC(NCC[C@@H](O)C[C@@H](O)CC([O-])=O)=O)C(C2=CC=C(C=C2)F)=C1C3=CC=CC=C3)NC4=CC=CC=C4.[Ca+2].[1/2]
Tpsa: 184.18
Logp: 4.2425
H Acceptors: 9
H Donors: 6
Rotatable Bonds: 19
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₄₇FN₃O₈.₁/₂Ca
Molecular Weight:
736.86
Synonyms:
Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide
SMILES:
O=C(C1=C(C(C)C)N(CC[C@@H](O)C[C@@H](O)CC(NCC[C@@H](O)C[C@@H](O)CC([O-])=O)=O)C(C2=CC=C(C=C2)F)=C1C3=CC=CC=C3)NC4=CC=CC=C4.[Ca+2].[1/2]
Tpsa:
184.18
Logp:
4.2425
H Acceptors:
9
H Donors:
6
Rotatable Bonds:
19
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₉BrN₂O
Molecular Weight: 301.14
Synonyms: (5-bromo-1H-pyrrolo[2,3-b]pyridine-3-yl)-phenyl-methanone
SMILES: O=C(C1=CNC2=NC=C(Br)C=C21)C3=CC=CC=C3
Tpsa: 45.75
Logp: 3.5564
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:
C₁₄H₉BrN₂O
Molecular Weight:
301.14
Synonyms:
(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-yl)-phenyl-methanone
SMILES:
O=C(C1=CNC2=NC=C(Br)C=C21)C3=CC=CC=C3
Tpsa:
45.75
Logp:
3.5564
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: C₈H₁₀BNO₅
Molecular Weight: 210.98
Synonyms: Acetic acid, [(5-borono-2-pyridinyl)oxy]-, 1-methyl ester (9CI)
SMILES: O=C(OC)COC1=NC=C(B(O)O)C=C1
Tpsa: 88.88
Logp: -1.6868
H Acceptors: 6
H Donors: 2
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:
C₈H₁₀BNO₅
Molecular Weight:
210.98
Synonyms:
Acetic acid, [(5-borono-2-pyridinyl)oxy]-, 1-methyl ester (9CI)
SMILES:
O=C(OC)COC1=NC=C(B(O)O)C=C1
Tpsa:
88.88
Logp:
-1.6868
H Acceptors:
6
H Donors:
2
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: C₁₀H₇BrClNO
Molecular Weight: 272.53
Synonyms: None
SMILES: COC1=C(Br)C=C2N=CC=C(Cl)C2=C1
Tpsa: 22.12
Logp: 3.6593
H Acceptors: 2
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:
C₁₀H₇BrClNO
Molecular Weight:
272.53
Synonyms:
None
SMILES:
COC1=C(Br)C=C2N=CC=C(Cl)C2=C1
Tpsa:
22.12
Logp:
3.6593
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1