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Substance Name: Desferritriacetylfusigen
RN: 20186-12-3
InChIKey: VGXYDZCCQDSGLZ-QVPILNJQSA-N

Molecular Weight

  • 852.93
 
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Names and Synonyms

Name of Substance

  • Desferritriacetylfusigen

Systematic Name

  • Acetamide, N,N',N''-(7,19,31-trihydroxy-10,22,34-trimethyl-2,8,14,20,26,32-hexaoxo-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-9,21,33-triene-3,15,27-triyl)tris-, (3S-(3R*,9Z,15R*,21Z,27R*,33Z))-

Registry Numbers

CAS Registry Number

  • 20186-12-3

System Generated Number

  • 0020186123

Structure Descriptors

InChI

1S/C39H60N6O15/c1-25-13-19-58-37(52)31(40-28(4)46)11-8-17-44(56)35(50)23-27(3)15-21-60-39(54)33(42-30(6)48)12-9-18-45(57)36(51)24-26(2)14-20-59-38(53)32(41-29(5)47)10-7-16-43(55)34(49)22-25/h22-24,31-33,55-57H,7-21H2,1-6H3,(H,40,46)(H,41,47)(H,42,48)/b25-22-,26-24-,27-23-

InChIKey

VGXYDZCCQDSGLZ-QVPILNJQSA-N

Smiles

O1C([C@@H](CCCN(C(C=C(CCOC([C@@H](CCCN(C(C=C(CCOC([C@@H](CCCN(C(C=C(CC1)C)=O)O)NC(C)=O)=O)C)=O)O)NC(C)=O)=O)C)=O)O)NC(C)=O)=O