CS-0531697
(S)-N1-(1,3-Dihydroxypropan-2-yl)-5-(2-hydroxypropanamido)-2,4,6-triiodo-N3,N3-dimethylisophthalamide Iopamidol Impurity
Manufacturer: ChemScene
CAS Number: 1869069-71-5
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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
C₁₆H₂₀I₃N₃O₆
Molecular Weight
731.06
Synonyms
Iopamidol EP impurity F
SMILES
OCC(CO)NC(C1=C(C(C(N(C)C)=O)=C(C(NC([C@@H](O)C)=O)=C1I)I)I)=O
Tpsa
139.2
Logp
0.6045
H Acceptors
6
H Donors
5
Rotatable Bonds
7
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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: C₁₆H₂₀I₃N₃O₆
Molecular Weight: 731.06
Synonyms: Iopamidol EP impurity F
SMILES: OCC(CO)NC(C1=C(C(C(N(C)C)=O)=C(C(NC([C@@H](O)C)=O)=C1I)I)I)=O
Tpsa: 139.2
Logp: 0.6045
H Acceptors: 6
H Donors: 5
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:
C₁₆H₂₀I₃N₃O₆
Molecular Weight:
731.06
Synonyms:
Iopamidol EP impurity F
SMILES:
OCC(CO)NC(C1=C(C(C(N(C)C)=O)=C(C(NC([C@@H](O)C)=O)=C1I)I)I)=O
Tpsa:
139.2
Logp:
0.6045
H Acceptors:
6
H Donors:
5
Rotatable Bonds:
7
Purity: 98%
MDL No: MFCD08063825
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₀N₂O₇S
Molecular Weight: 338.29
Synonyms: 3-Nitro-4-phenoxy-5-sulfamoylbenzoic acid
SMILES: O=C(C1=CC(S(=O)(N)=O)=C(OC2=CC=CC=C2)C([N+]([O-])=O)=C1)O
Tpsa: 149.83
Logp: 1.7327
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 5
Purity:
98%
MDL No:
MFCD08063825
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₀N₂O₇S
Molecular Weight:
338.29
Synonyms:
3-Nitro-4-phenoxy-5-sulfamoylbenzoic acid
SMILES:
O=C(C1=CC(S(=O)(N)=O)=C(OC2=CC=CC=C2)C([N+]([O-])=O)=C1)O
Tpsa:
149.83
Logp:
1.7327
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₃₉ClO₇
Molecular Weight: 523.06
Synonyms: 1,2-Dihydro-beclomethasone dipropionate
SMILES: O=C(CC)OCC(C1(C(CC2C3CCC4=CC(CCC4(C3(C(CC21C)O)Cl)C)=O)C)OC(CC)=O)=O
Tpsa: 106.97
Logp: 4.3108
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₃₉ClO₇
Molecular Weight:
523.06
Synonyms:
1,2-Dihydro-beclomethasone dipropionate
SMILES:
O=C(CC)OCC(C1(C(CC2C3CCC4=CC(CCC4(C3(C(CC21C)O)Cl)C)=O)C)OC(CC)=O)=O
Tpsa:
106.97
Logp:
4.3108
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₂I₃N₃O₈
Molecular Weight: 777.09
Synonyms: N1-?(2,?3-?Dihydroxypropyl)?-?N3-?[2-?hydroxy-?1-?(hydroxymethyl)?ethyl]?-?5-?[[(2S)?-?2-?hydroxy-?1-?oxopropyl]?amino]?-?2,?4,?6-?triiodoisophthalamide(IopamidolEPImpurityG)
SMILES: OCC(CO)NC(C1=C(C(C(NCC(O)CO)=O)=C(C(NC([C@@H](O)C)=O)=C1I)I)I)=O
Tpsa: 188.45
Logp: -1.0143
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:
C₁₇H₂₂I₃N₃O₈
Molecular Weight:
777.09
Synonyms:
N1-?(2,?3-?Dihydroxypropyl)?-?N3-?[2-?hydroxy-?1-?(hydroxymethyl)?ethyl]?-?5-?[[(2S)?-?2-?hydroxy-?1-?oxopropyl]?amino]?-?2,?4,?6-?triiodoisophthalamide(IopamidolEPImpurityG)
SMILES:
OCC(CO)NC(C1=C(C(C(NCC(O)CO)=O)=C(C(NC([C@@H](O)C)=O)=C1I)I)I)=O
Tpsa:
188.45
Logp:
-1.0143
H Acceptors:
8
H Donors:
8
Rotatable Bonds:
10