CS-0531690
4-(3-((5-((5-((5-((4,5-Dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-12,14-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one Digoxin Impurity
Manufacturer: ChemScene
CAS Number: 31539-05-6
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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
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
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 31539-05-6 | DIGOXIGENIN-TETRA-DIGITOXOSIDE | A2B Chem | -- |
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SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P260-P264-P270-P271-P280-P284-P304+P340-P305+P351+P338-P330-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: 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
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₂₀I₃N₃O₈
Molecular Weight: 763.06
Synonyms: Desmethyl Iopamidol
SMILES: O=C(C1=C(C(NC(CO)=O)=C(C(C(NC(CO)CO)=O)=C1I)I)I)NC(CO)CO
Tpsa: 188.45
Logp: -1.4028
H Acceptors: 8
H Donors: 8
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:
C₁₆H₂₀I₃N₃O₈
Molecular Weight:
763.06
Synonyms:
Desmethyl Iopamidol
SMILES:
O=C(C1=C(C(NC(CO)=O)=C(C(C(NC(CO)CO)=O)=C1I)I)I)NC(CO)CO
Tpsa:
188.45
Logp:
-1.4028
H Acceptors:
8
H Donors:
8
Rotatable Bonds:
10