N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-14-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide;iron(3+)
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![N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-14-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide;iron(3+) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8ae5e6474dad4dc38a9361d987e692d4.png "N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-14-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide;iron(3+)")
N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-14-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide;iron(3+)
structure -
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CAS No:
23086-46-6
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Formula:
C28H44FeN9O13
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Chemical Name:
N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-14-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide;iron(3+)
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Synonyms:
(cyclic(glycyl-N(5)-acetyl-N(5)-hydroxy-L-ornithyl-N(5)-hydroxy-L-ornithyl-N(5)-acetyl-N(5)-hydroxy- L-ornithylgylcyl-L-seryl)ato(3-))iron;ferricrocin;23086-46-6;DTXSID20945762;(Cyclic(glycyl-N(5)-acetyl-N(5)-hydroxy-L-ornithyl-N(5)-hydroxy-L-ornithyl-N(5)-acetyl-N(5)-hydroxy- L-ornithylgylcyl-L-seryl)ato(3-))iron;Iron(3+) {[3,6,9,12,15,18-hexahydroxy-14-(hydroxymethyl)-1,4,7,10,13,16-hexaazacyclooctadeca-3,6,9,12,15,18-hexaene-2,5,8-triyl]tris[(propane-3,1-diyl)(acetylazanediyl)]}tris(oxidanide)
- Categories:
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CAS No:
N-[3-[5,8-bis[3-[acetyl(oxido)amino]propyl]-14-(hydroxymethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide;iron(3+) Basic Attributes
770.5 g/mol
770.240793 g/mol
Drug Information
(cyclic(glycyl-N(5)-acetyl-N(5)-hydroxy-L-ornithyl-N(5)-hydroxy-L-ornithyl-N(5)-acetyl-N(5)-hydroxy- L-ornithylgylcyl-L-seryl)ato(3-))iron
Computed Properties
Molecular Weight:770.5
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:13
Exact Mass:770.240793
Monoisotopic Mass:770.240793
Topological Polar Surface Area:325
Heavy Atom Count:51
Complexity:1250
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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