CS-0103067
Diginatin
Manufacturer: ChemScene
CAS Number: 52589-12-5
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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
C₄₁H₆₄O₁₅
Molecular Weight
796.94
Synonyms
Digoxin IMpurity E
SMILES
O[C@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@H]2[C@H](C[C@@H](O[C@@H]2C)O[C@H]3[C@H](C[C@@H](O[C@@H]3C)O[C@@H]4C[C@]([H])([C@@]5(CC4)C)CC[C@@]6([C@@]5(C[C@H]([C@]7([C@]6(O)C[C@@H]([C@@H]7C8=CC(OC8)=O)O)C)O)[H])[H])O)O
Tpsa
223.29
Logp
1.1889
H Acceptors
15
H Donors
7
Rotatable Bonds
7
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 52589-12-5 | diginatin | A2B Chem | -- |
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: C₄₁H₆₄O₁₅
Molecular Weight: 796.94
Synonyms: Digoxin IMpurity E
SMILES: O[C@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@H]2[C@H](C[C@@H](O[C@@H]2C)O[C@H]3[C@H](C[C@@H](O[C@@H]3C)O[C@@H]4C[C@]([H])([C@@]5(CC4)C)CC[C@@]6([C@@]5(C[C@H]([C@]7([C@]6(O)C[C@@H]([C@@H]7C8=CC(OC8)=O)O)C)O)[H])[H])O)O
Tpsa: 223.29
Logp: 1.1889
H Acceptors: 15
H Donors: 7
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:
C₄₁H₆₄O₁₅
Molecular Weight:
796.94
Synonyms:
Digoxin IMpurity E
SMILES:
O[C@H]1C[C@@H](O[C@@H]([C@H]1O)C)O[C@H]2[C@H](C[C@@H](O[C@@H]2C)O[C@H]3[C@H](C[C@@H](O[C@@H]3C)O[C@@H]4C[C@]([H])([C@@]5(CC4)C)CC[C@@]6([C@@]5(C[C@H]([C@]7([C@]6(O)C[C@@H]([C@@H]7C8=CC(OC8)=O)O)C)O)[H])[H])O)O
Tpsa:
223.29
Logp:
1.1889
H Acceptors:
15
H Donors:
7
Rotatable Bonds:
7
Purity: 98%
MDL No: MFCD00075804
Storage: 4°C, sealed storage, away from moisture and light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₄O₅
Molecular Weight: 322.31
Synonyms: None
SMILES: COC(/C(C1=CC=CC=C1)=C2C(O)=C(C3=CC=CC=C3)C(O\2)=O)=O
Tpsa: 72.83
Logp: 3.0968
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD00075804
Storage:
4°C, sealed storage, away from moisture and light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₄O₅
Molecular Weight:
322.31
Synonyms:
None
SMILES:
COC(/C(C1=CC=CC=C1)=C2C(O)=C(C3=CC=CC=C3)C(O\2)=O)=O
Tpsa:
72.83
Logp:
3.0968
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₆FN
Molecular Weight: 193.26
Synonyms: None
SMILES: FC1=CC=C(CN[C@H](C2CC2)C)C=C1
Tpsa: 12.03
Logp: 2.7138
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₆FN
Molecular Weight:
193.26
Synonyms:
None
SMILES:
FC1=CC=C(CN[C@H](C2CC2)C)C=C1
Tpsa:
12.03
Logp:
2.7138
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: MFCD00063079
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₄N₂O₄S₂
Molecular Weight: 254.33
Synonyms: None
SMILES: N[C@@H](CSCSC[C@@H](C(O)=O)N)C(O)=O
Tpsa: 126.64
Logp: -0.7659
H Acceptors: 6
H Donors: 4
Rotatable Bonds: 8
Purity:
98%
MDL No:
MFCD00063079
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₄N₂O₄S₂
Molecular Weight:
254.33
Synonyms:
None
SMILES:
N[C@@H](CSCSC[C@@H](C(O)=O)N)C(O)=O
Tpsa:
126.64
Logp:
-0.7659
H Acceptors:
6
H Donors:
4
Rotatable Bonds:
8