CS-0531688
(2R,3S,4S,6S)-6-(((2R,3S,4S,6S)-6-(((2R,3S,4S,6R)-6-(((3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-Dihydroxy-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl)oxy)-4-hydroxy-2-methyltetrahydro-2H-pyran-3-yl acetate Digoxin Impurity
Manufacturer: ChemScene
CAS Number: 5355-48-6
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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
C₄₃H₆₆O₁₅
Molecular Weight
822.98
Synonyms
β-Acetyl Digoxin
SMILES
O[C@@]12[C@@]3([H])[C@@](C[C@H]([C@@]1([C@](C(CO4)=CC4=O)([H])CC2)C)O)([H])[C@@]5([C@](C[C@H](CC5)O[C@H]6C[C@@H]([C@@H]([C@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(C)=O)O)O)O)([H])CC3)C
Tpsa
209.13
Logp
2.7889
H Acceptors
15
H Donors
5
Rotatable Bonds
8
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | Sigma Aldrich Fine Chemicals Biosciences beta-Acetyldigoxin European Pharmacopoeia (EP) Reference Standard | 5355-48-6 | | Sigma Aldrich Fine Chemicals Biosciences | ₹ 23,582.90 | |
 | Sigma Aldrich Fine Chemicals Biosciences beta-Acetyldigoxin for peak identification European Pharmacopoeia (EP) Reference Standard | 5355-48-6 | | Sigma Aldrich Fine Chemicals Biosciences | ₹ 16,036.51 | |
 | β-Acetyldigoxin | Sigma Aldrich | ₹ 16,107.60 | |
 | 5355-48-6 | β-Acetyl Digoxin | A2B Chem | ₹ 27,635.88 - ₹ 1,69,408.80 |
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/toxic.svg
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
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: C₄₃H₆₆O₁₅
Molecular Weight: 822.98
Synonyms: β-Acetyl Digoxin
SMILES: O[C@@]12[C@@]3([H])[C@@](C[C@H]([C@@]1([C@](C(CO4)=CC4=O)([H])CC2)C)O)([H])[C@@]5([C@](C[C@H](CC5)O[C@H]6C[C@@H]([C@@H]([C@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(C)=O)O)O)O)([H])CC3)C
Tpsa: 209.13
Logp: 2.7889
H Acceptors: 15
H Donors: 5
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₃H₆₆O₁₅
Molecular Weight:
822.98
Synonyms:
β-Acetyl Digoxin
SMILES:
O[C@@]12[C@@]3([H])[C@@](C[C@H]([C@@]1([C@](C(CO4)=CC4=O)([H])CC2)C)O)([H])[C@@]5([C@](C[C@H](CC5)O[C@H]6C[C@@H]([C@@H]([C@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(C)=O)O)O)O)([H])CC3)C
Tpsa:
209.13
Logp:
2.7889
H Acceptors:
15
H Donors:
5
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₇H₇₄O₁₇
Molecular Weight: 911.08
Synonyms: Digoxigenin Tetradigitoxoside
SMILES: O=C1OCC(C2CCC3(C4CCC5CC(CCC5(C4CC(C23C)O)C)OC6OC(C(C(C6)O)OC7OC(C(C(C7)O)OC8OC(C(C(C8)O)OC9OC(C(C(C9)O)O)C)C)C)C)O)=C1
Tpsa: 241.75
Logp: 2.0991
H Acceptors: 17
H Donors: 7
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₇H₇₄O₁₇
Molecular Weight:
911.08
Synonyms:
Digoxigenin Tetradigitoxoside
SMILES:
O=C1OCC(C2CCC3(C4CCC5CC(CCC5(C4CC(C23C)O)C)OC6OC(C(C(C6)O)OC7OC(C(C(C7)O)OC8OC(C(C(C8)O)OC9OC(C(C(C9)O)O)C)C)C)C)O)=C1
Tpsa:
241.75
Logp:
2.0991
H Acceptors:
17
H Donors:
7
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃H₄₂I₆N₆O₁₄
Molecular Weight: 1508.15
Synonyms: 5-(Acetyl(3-((3,5-bis((2,3-dihydroxypropyl)carbamoyl)-2,4,6-triiodophenyl)amino)-2-hydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
SMILES: O=C(C1=C(C(NCC(CN(C2=C(I)C(C(NCC(CO)O)=O)=C(I)C(C(NCC(CO)O)=O)=C2I)C(C)=O)O)=C(C(C(NCC(CO)O)=O)=C1I)I)I)NCC(CO)O
Tpsa: 330.81
Logp: -1.5279
H Acceptors: 15
H Donors: 14
Rotatable Bonds: 22
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₄₂I₆N₆O₁₄
Molecular Weight:
1508.15
Synonyms:
5-(Acetyl(3-((3,5-bis((2,3-dihydroxypropyl)carbamoyl)-2,4,6-triiodophenyl)amino)-2-hydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
SMILES:
O=C(C1=C(C(NCC(CN(C2=C(I)C(C(NCC(CO)O)=O)=C(I)C(C(NCC(CO)O)=O)=C2I)C(C)=O)O)=C(C(C(NCC(CO)O)=O)=C1I)I)I)NCC(CO)O
Tpsa:
330.81
Logp:
-1.5279
H Acceptors:
15
H Donors:
14
Rotatable Bonds:
22
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₂H₃₈I₆N₆O₁₃
Molecular Weight: 1476.10
Synonyms: Iodixanol Related Compound E (5-{N-[3-(N-{3-carbamoyl-5-[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl}acetamido)-2-hydroxypropyl]acetamido}-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthal
SMILES: O=C(C1=C(I)C(N(CC(CN(C2=C(I)C(C(NCC(CO)O)=O)=C(I)C(C(NCC(CO)O)=O)=C2I)C(C)=O)O)C(C)=O)=C(I)C(C(NCC(CO)O)=O)=C1I)N
Tpsa: 312.62
Logp: -0.571
H Acceptors: 13
H Donors: 11
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:
C₃₂H₃₈I₆N₆O₁₃
Molecular Weight:
1476.10
Synonyms:
Iodixanol Related Compound E (5-{N-[3-(N-{3-carbamoyl-5-[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl}acetamido)-2-hydroxypropyl]acetamido}-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthal
SMILES:
O=C(C1=C(I)C(N(CC(CN(C2=C(I)C(C(NCC(CO)O)=O)=C(I)C(C(NCC(CO)O)=O)=C2I)C(C)=O)O)C(C)=O)=C(I)C(C(NCC(CO)O)=O)=C1I)N
Tpsa:
312.62
Logp:
-0.571
H Acceptors:
13
H Donors:
11
Rotatable Bonds:
19