3-Amino-5-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodobenzoic acid
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![3-Amino-5-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodobenzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a6ca6e234a0b4ecabe3470dac1f7f3f0.png "3-Amino-5-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodobenzoic acid")
3-Amino-5-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodobenzoic acid
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CAS No:
122731-59-3
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Formula:
C15H15I3N2O7
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Chemical Name:
3-Amino-5-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodobenzoic acid
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Synonyms:
Benzoic acid,3-amino-5-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodo-;3-Amino-5-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodobenzoic acid;3-Amino-5-((2,3-diacetoxypropyl)carbamoyl)-2,4,6-triiodobenzoic acid
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CAS No:
3-Amino-5-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodobenzoic acid Basic Attributes
716.00221
716.00
602-891-7
DTXSID40472000
Safety Information
P280, P302+P352, P312, P322, P361, P363, P405, P501
H311
|Danger|H311 (100%): Toxic in contact with skin [Danger Acute toxicity, dermal]|P280, P302+P352, P312, P322, P361, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-Amino-5-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodobenzoic acid Use and Manufacturing
Intermediate in the preparation of Iopromide
Computed Properties
Molecular Weight:716.00
XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:715.8013
Monoisotopic Mass:715.8013
Topological Polar Surface Area:145
Heavy Atom Count:27
Complexity:592
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Amino-5-[[[2,3-bis(acetyloxy)propyl]amino]carbonyl]-2,4,6-triiodobenzoic acid
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