CS-0783621
5-[Acetyl(2,3-dihydroxypropyl)amino]-N-[2-(2,3-dihydroxypropoxy)-3-hydroxypropyl]-N′-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide Iodixanol Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₂₂H₃₂I₃N₃O₁₁
Molecular Weight
895.22
Synonyms
None
SMILES
IC1=C(C(I)=C(C(I)=C1N(C(C)=O)CC(O)CO)C(NCC(CO)O)=O)C(NCC(CO)OCC(CO)O)=O
Tpsa
229.35
Logp
-2.25
H Acceptors
11
H Donors
9
Rotatable Bonds
16
Other Options
...
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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: C₂₂H₃₂I₃N₃O₁₁
Molecular Weight: 895.22
Synonyms: None
SMILES: IC1=C(C(I)=C(C(I)=C1N(C(C)=O)CC(O)CO)C(NCC(CO)O)=O)C(NCC(CO)OCC(CO)O)=O
Tpsa: 229.35
Logp: -2.25
H Acceptors: 11
H Donors: 9
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₃₂I₃N₃O₁₁
Molecular Weight:
895.22
Synonyms:
None
SMILES:
IC1=C(C(I)=C(C(I)=C1N(C(C)=O)CC(O)CO)C(NCC(CO)O)=O)C(NCC(CO)OCC(CO)O)=O
Tpsa:
229.35
Logp:
-2.25
H Acceptors:
11
H Donors:
9
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₃H₆₉ClN₂
Molecular Weight: 649.47
Synonyms: None
SMILES: CCCC(CCC)C1=C(N2C=C[N+](C3=C(C(CCC)CCC)C=CC=C3C(CCC)CCC)=C2)C(C(CCC)CCC)=CC=C1.[Cl-]
Tpsa: 8.81
Logp: 10.4932
H Acceptors: 1
H Donors: 0
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:
C₄₃H₆₉ClN₂
Molecular Weight:
649.47
Synonyms:
None
SMILES:
CCCC(CCC)C1=C(N2C=C[N+](C3=C(C(CCC)CCC)C=CC=C3C(CCC)CCC)=C2)C(C(CCC)CCC)=CC=C1.[Cl-]
Tpsa:
8.81
Logp:
10.4932
H Acceptors:
1
H Donors:
0
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: C₇H₈BNO₂
Molecular Weight: 148.95
Synonyms: None
SMILES: OB(O)/C=C/C1=CN=CC=C1
Tpsa: 53.35
Logp: 0.1068
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₈BNO₂
Molecular Weight:
148.95
Synonyms:
None
SMILES:
OB(O)/C=C/C1=CN=CC=C1
Tpsa:
53.35
Logp:
0.1068
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: -20°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₇BO₂S
Molecular Weight: 153.99
Synonyms: None
SMILES: OB(O)/C=C/C1=CSC=C1
Tpsa: 40.46
Logp: 0.7733
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
-20°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₇BO₂S
Molecular Weight:
153.99
Synonyms:
None
SMILES:
OB(O)/C=C/C1=CSC=C1
Tpsa:
40.46
Logp:
0.7733
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2