CS-1001648
Empagliflozin Impurity 180
Manufacturer: ChemScene
CAS Number: 15396-36-8
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₇H₃ClI₂O₂
Molecular Weight
408.36
Synonyms
None
SMILES
O=C(O)C=1C=C(I)C=C(I)C1Cl
Tpsa
37.3
Logp
3.2474
H Acceptors
1
H Donors
1
Rotatable Bonds
1
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
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Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₃ClI₂O₂
Molecular Weight: 408.36
Synonyms: None
SMILES: O=C(O)C=1C=C(I)C=C(I)C1Cl
Tpsa: 37.3
Logp: 3.2474
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₃ClI₂O₂
Molecular Weight:
408.36
Synonyms:
None
SMILES:
O=C(O)C=1C=C(I)C=C(I)C1Cl
Tpsa:
37.3
Logp:
3.2474
H Acceptors:
1
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: C₂₁H₁₆O₇
Molecular Weight: 380.35
Synonyms: None
SMILES: O=C1OCC2=CC=3C=C4OCOC4=CC3C(C5=CC(OC)=C(O)C(OC)=C5)=C12
Tpsa: 83.45
Logp: 3.6287
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₁₆O₇
Molecular Weight:
380.35
Synonyms:
None
SMILES:
O=C1OCC2=CC=3C=C4OCOC4=CC3C(C5=CC(OC)=C(O)C(OC)=C5)=C12
Tpsa:
83.45
Logp:
3.6287
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₅IN₄O₃S
Molecular Weight: 456.34
Synonyms: None
SMILES: [I-].O=N(=O)C=C(NC)NCCSCC=1OC(=CC1)C[N+](C)(C)C
Tpsa: 80.34
Logp: -1.3924
H Acceptors: 6
H Donors: 2
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:
C₁₄H₂₅IN₄O₃S
Molecular Weight:
456.34
Synonyms:
None
SMILES:
[I-].O=N(=O)C=C(NC)NCCSCC=1OC(=CC1)C[N+](C)(C)C
Tpsa:
80.34
Logp:
-1.3924
H Acceptors:
6
H Donors:
2
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: C₂₁H₃₀O₆
Molecular Weight: 378.46
Synonyms: None
SMILES: C(O)[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@@H]3O)[C@](C(CO)=O)(O)CC4)[H])(CCC1=CC(=O)CC2)[H])[H]
Tpsa: 115.06
Logp: 0.754
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₃₀O₆
Molecular Weight:
378.46
Synonyms:
None
SMILES:
C(O)[C@@]12[C@@]3([C@]([C@]4([C@](C)(C[C@@H]3O)[C@](C(CO)=O)(O)CC4)[H])(CCC1=CC(=O)CC2)[H])[H]
Tpsa:
115.06
Logp:
0.754
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
3