CS-0783789
5-(Diacetylamino)-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
C₂₃H₃₂I₃N₃O₁₀
Molecular Weight
891.23
Synonyms
None
SMILES
OC(CO)COC(CO)CNC(C1=C(I)C(N(C(CC)=O)C(CC)=O)=C(I)C(C(NCC(O)CO)=O)=C1I)=O
Tpsa
205.96
Logp
-0.2765
H Acceptors
10
H Donors
7
Rotatable Bonds
15
Other Options
...
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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: C₂₃H₃₂I₃N₃O₁₀
Molecular Weight: 891.23
Synonyms: None
SMILES: OC(CO)COC(CO)CNC(C1=C(I)C(N(C(CC)=O)C(CC)=O)=C(I)C(C(NCC(O)CO)=O)=C1I)=O
Tpsa: 205.96
Logp: -0.2765
H Acceptors: 10
H Donors: 7
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₂I₃N₃O₁₀
Molecular Weight:
891.23
Synonyms:
None
SMILES:
OC(CO)COC(CO)CNC(C1=C(I)C(N(C(CC)=O)C(CC)=O)=C(I)C(C(NCC(O)CO)=O)=C1I)=O
Tpsa:
205.96
Logp:
-0.2765
H Acceptors:
10
H Donors:
7
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: polypeptide, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₇H₈₆N₁₄O₂₅S
Molecular Weight: 1399.44
Synonyms: LR12-scr
SMILES: O=C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CS)C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@H](O)C)C(NCC(N[C@@H](CCC(O)=O)C(N[C@@H](CC(O)=O)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC1=CC=C(C=C1)O)N
Tpsa: 659.26
Logp: -7.4665
H Acceptors: 22
H Donors: 22
Rotatable Bonds: 46
Purity:
98%
MDL No:
None
Storage:
polypeptide, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₇H₈₆N₁₄O₂₅S
Molecular Weight:
1399.44
Synonyms:
LR12-scr
SMILES:
O=C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(O)=O)C(N[C@@H](C(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CS)C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@H](O)C)C(NCC(N[C@@H](CCC(O)=O)C(N[C@@H](CC(O)=O)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC1=CC=C(C=C1)O)N
Tpsa:
659.26
Logp:
-7.4665
H Acceptors:
22
H Donors:
22
Rotatable Bonds:
46
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₉I₂N₃O₆
Molecular Weight: 579.13
Synonyms: None
SMILES: O=C(C1=CC(N)=C(I)C(C(NCC(O)CO)=O)=C1I)NCC(O)CO
Tpsa: 165.14
Logp: -1.356
H Acceptors: 7
H Donors: 7
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:
C₁₄H₁₉I₂N₃O₆
Molecular Weight:
579.13
Synonyms:
None
SMILES:
O=C(C1=CC(N)=C(I)C(C(NCC(O)CO)=O)=C1I)NCC(O)CO
Tpsa:
165.14
Logp:
-1.356
H Acceptors:
7
H Donors:
7
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: C₆H₁₂O
Molecular Weight: 100.16
Synonyms: None
SMILES: CC1CCCCO1
Tpsa: 9.23
Logp: 1.5754
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₂O
Molecular Weight:
100.16
Synonyms:
None
SMILES:
CC1CCCCO1
Tpsa:
9.23
Logp:
1.5754
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0