CS-1000955
Ertugliflozin Impurity 9
Manufacturer: ChemScene
CAS Number: 1298086-28-8
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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
C₂₂H₂₅ClO₈
Molecular Weight
452.88
Synonyms
None
SMILES
O[C@H]1[C@@]2(O[C@@](CO)(CO2)[C@@H](O)[C@@H]1O)C3=CC(C(O)C4=CC=C(OCC)C=C4)=C(Cl)C=C3
Tpsa
128.84
Logp
0.8474
H Acceptors
8
H Donors
5
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1298086-28-8 | Hydroxy ertugliflozin | A2B Chem | -- |
SAFETY INFORMATION
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: C₂₂H₂₅ClO₈
Molecular Weight: 452.88
Synonyms: None
SMILES: O[C@H]1[C@@]2(O[C@@](CO)(CO2)[C@@H](O)[C@@H]1O)C3=CC(C(O)C4=CC=C(OCC)C=C4)=C(Cl)C=C3
Tpsa: 128.84
Logp: 0.8474
H Acceptors: 8
H Donors: 5
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:
C₂₂H₂₅ClO₈
Molecular Weight:
452.88
Synonyms:
None
SMILES:
O[C@H]1[C@@]2(O[C@@](CO)(CO2)[C@@H](O)[C@@H]1O)C3=CC(C(O)C4=CC=C(OCC)C=C4)=C(Cl)C=C3
Tpsa:
128.84
Logp:
0.8474
H Acceptors:
8
H Donors:
5
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: C₂₂H₂₃ClO₈
Molecular Weight: 450.87
Synonyms: None
SMILES: O[C@H]1[C@@]2(O[C@@](CO)(CO2)[C@@H](O)[C@@H]1O)C3=CC(C(=O)C4=CC=C(OCC)C=C4)=C(Cl)C=C3
Tpsa: 125.68
Logp: 0.9967
H Acceptors: 8
H Donors: 4
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:
C₂₂H₂₃ClO₈
Molecular Weight:
450.87
Synonyms:
None
SMILES:
O[C@H]1[C@@]2(O[C@@](CO)(CO2)[C@@H](O)[C@@H]1O)C3=CC(C(=O)C4=CC=C(OCC)C=C4)=C(Cl)C=C3
Tpsa:
125.68
Logp:
0.9967
H Acceptors:
8
H Donors:
4
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: C₁₀H₁₆ClN₃O₅S
Molecular Weight: 325.77
Synonyms: None
SMILES: C(NCC(O)=O)(=O)[C@H]1N=C(CC[C@@H](C(O)=O)N)SC1.Cl
Tpsa: 142.08
Logp: -0.685
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₆ClN₃O₅S
Molecular Weight:
325.77
Synonyms:
None
SMILES:
C(NCC(O)=O)(=O)[C@H]1N=C(CC[C@@H](C(O)=O)N)SC1.Cl
Tpsa:
142.08
Logp:
-0.685
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₅NO₂
Molecular Weight: 277.32
Synonyms: None
SMILES: OC1=CC=C(C=C1)C(C=2C=NC=CC2)C3=CC=C(O)C=C3
Tpsa: 53.35
Logp: 3.673
H Acceptors: 3
H Donors: 2
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:
C₁₈H₁₅NO₂
Molecular Weight:
277.32
Synonyms:
None
SMILES:
OC1=CC=C(C=C1)C(C=2C=NC=CC2)C3=CC=C(O)C=C3
Tpsa:
53.35
Logp:
3.673
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3