CS-0531700
N1-(1,3-Dihydroxypropan-2-yl)-N3-(2,3-dihydroxypropyl)-5-((S)-2-hydroxypropanamido)-2,4,6-triiodoisophthalamide Iopamidol Impurity
Manufacturer: ChemScene
CAS Number: 1869069-72-6
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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
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
Related Products
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: 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
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂N₂O₅S
Molecular Weight: 308.31
Synonyms: 3-Amino-4-phenoxy-5-sulfamoylbenzoic acid
SMILES: O=C(C1=CC(N)=C(C(S(=O)(N)=O)=C1)OC2=CC=CC=C2)O
Tpsa: 132.71
Logp: 1.4067
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₂N₂O₅S
Molecular Weight:
308.31
Synonyms:
3-Amino-4-phenoxy-5-sulfamoylbenzoic acid
SMILES:
O=C(C1=CC(N)=C(C(S(=O)(N)=O)=C1)OC2=CC=CC=C2)O
Tpsa:
132.71
Logp:
1.4067
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₂₃I₂N₃O₈
Molecular Weight: 651.19
Synonyms: Iopamidol Impurity K
SMILES: OCC(CO)NC(C1=C(C(C(NC(CO)CO)=O)=CC(NC([C@@H](O)C)=O)=C1I)I)=O
Tpsa: 188.45
Logp: -1.6189
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:
C₁₇H₂₃I₂N₃O₈
Molecular Weight:
651.19
Synonyms:
Iopamidol Impurity K
SMILES:
OCC(CO)NC(C1=C(C(C(NC(CO)CO)=O)=CC(NC([C@@H](O)C)=O)=C1I)I)=O
Tpsa:
188.45
Logp:
-1.6189
H Acceptors:
8
H Donors:
8
Rotatable Bonds:
10
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₈N₂O₅S
Molecular Weight: 420.52
Synonyms: Butyl 3-aminosulphonyl-5-butylamino-4-phenoxybenzoate
SMILES: O=C(C1=CC(S(=O)(N)=O)=C(OC2=CC=CC=C2)C(NCCCC)=C1)OCCCC
Tpsa: 107.72
Logp: 4.2952
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 11
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₈N₂O₅S
Molecular Weight:
420.52
Synonyms:
Butyl 3-aminosulphonyl-5-butylamino-4-phenoxybenzoate
SMILES:
O=C(C1=CC(S(=O)(N)=O)=C(OC2=CC=CC=C2)C(NCCCC)=C1)OCCCC
Tpsa:
107.72
Logp:
4.2952
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
11