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Substance Name: 8-Chloro-fad
RN: 68385-36-4
InChIKey: WAJIYEWYQUYXST-FFEKMDIOSA-N

Molecular Weight

  • 805.972
 
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Names and Synonyms

Name of Substance

  • 8-Chloro-fad

Systematic Name

  • Riboflavin 5'-(trihydrogen diphosphate), 8-chloro-8-demethyl-, 5'-5'-ester with adenosine

Registry Numbers

CAS Registry Number

  • 68385-36-4

System Generated Number

  • 0068385364

Structure Descriptors

InChI

1S/C26H30ClN9O15P2/c1-9-2-11-12(3-10(9)27)35(23-17(32-11)24(42)34-26(43)33-23)4-13(37)18(39)14(38)5-48-52(44,45)51-53(46,47)49-6-15-19(40)20(41)25(50-15)36-8-31-16-21(28)29-7-30-22(16)36/h2-3,7-8,13-15,18-20,25,37-41H,4-6H2,1H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t13-,14+,15+,18-,19+,20+,25+/m0/s1

InChIKey

WAJIYEWYQUYXST-FFEKMDIOSA-N

Smiles

O(C[C@H]1O[C@@H](n2cnc3c(N)ncnc23)[C@@H]([C@@H]1O)O)[P@@](O[P@@](OC[C@H]([C@H]([C@H](Cn1c2c(nc3c1cc(Cl)c(c3)C)c([nH]c(n2)=O)=O)O)O)O)(=O)O)(=O)O