CS-0379701
(2S,3R,4S,5R,6R)-6-(Acetoxymethyl)-2-(4-chloro-3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triyl triacetate Empagliflozin Impurity
Manufacturer: ChemScene
CAS Number: 1620758-21-5
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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
C₃₂H₃₇ClO₁₂
Molecular Weight
649.08
Synonyms
None
SMILES
CO[C@]1(C2=CC(CC3=CC=C(C=C3)O[C@H]4CCOC4)=C(C=C2)Cl)[C@@H]([C@H]([C@@H]([C@H](O1)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
Tpsa
142.12
Logp
3.6547
H Acceptors
12
H Donors
0
Rotatable Bonds
11
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: C₃₂H₃₇ClO₁₂
Molecular Weight: 649.08
Synonyms: None
SMILES: CO[C@]1(C2=CC(CC3=CC=C(C=C3)O[C@H]4CCOC4)=C(C=C2)Cl)[C@@H]([C@H]([C@@H]([C@H](O1)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
Tpsa: 142.12
Logp: 3.6547
H Acceptors: 12
H Donors: 0
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₂H₃₇ClO₁₂
Molecular Weight:
649.08
Synonyms:
None
SMILES:
CO[C@]1(C2=CC(CC3=CC=C(C=C3)O[C@H]4CCOC4)=C(C=C2)Cl)[C@@H]([C@H]([C@@H]([C@H](O1)COC(C)=O)OC(C)=O)OC(C)=O)OC(C)=O
Tpsa:
142.12
Logp:
3.6547
H Acceptors:
12
H Donors:
0
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₂₃ClFN₃O₃
Molecular Weight: 347.81
Synonyms: Linezolid Impurity D HCl
SMILES: CC(N(C1=CC(F)=C(N2CCOCC2)C=C1)C[C@@H](O)CN)=O.Cl
Tpsa: 79.03
Logp: 0.7566
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₃ClFN₃O₃
Molecular Weight:
347.81
Synonyms:
Linezolid Impurity D HCl
SMILES:
CC(N(C1=CC(F)=C(N2CCOCC2)C=C1)C[C@@H](O)CN)=O.Cl
Tpsa:
79.03
Logp:
0.7566
H Acceptors:
5
H Donors:
2
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: C₁₇H₂₄N₄O₄S₂
Molecular Weight: 412.53
Synonyms: 2-{[(5aR,6R)-1,7-Dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]amino}-2-oxoethyl N,N'-diisopropylcarbamimidothioate
SMILES: O=C1N2[C@@](SCC3=C2C(OC3)=O)([H])[C@@H]1NC(CS/C(NC(C)C)=N/C(C)C)=O
Tpsa: 100.1
Logp: 0.6928
H Acceptors: 7
H Donors: 2
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:
C₁₇H₂₄N₄O₄S₂
Molecular Weight:
412.53
Synonyms:
2-{[(5aR,6R)-1,7-Dioxo-1,4,6,7-tetrahydro-3H,5aH-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]amino}-2-oxoethyl N,N'-diisopropylcarbamimidothioate
SMILES:
O=C1N2[C@@](SCC3=C2C(OC3)=O)([H])[C@@H]1NC(CS/C(NC(C)C)=N/C(C)C)=O
Tpsa:
100.1
Logp:
0.6928
H Acceptors:
7
H Donors:
2
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: C₁₅H₂₁N₃O₃S
Molecular Weight: 323.41
Synonyms: None
SMILES: OC([C@@H]1NC(SC1(C)C)CNC([C@@H](C2=CC=CC=C2)N)=O)=O
Tpsa: 104.45
Logp: 0.6969
H Acceptors: 5
H Donors: 4
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:
C₁₅H₂₁N₃O₃S
Molecular Weight:
323.41
Synonyms:
None
SMILES:
OC([C@@H]1NC(SC1(C)C)CNC([C@@H](C2=CC=CC=C2)N)=O)=O
Tpsa:
104.45
Logp:
0.6969
H Acceptors:
5
H Donors:
4
Rotatable Bonds:
5