CAS Registry Number®
84366-81-4
CAS Name
Flavin adenine dinucleotide sodium salt
Molecular Formula
C27H33N9O15P2.2Na
Other Names and Identifiers
InChI
InChI=1S/C27H33N9O15P2.2Na/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36;;/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43);;/t14-,15+,16+,19-,20+,21+,26+;;/m0../s1
InChIKey
InChIKey=JCGIJLSDQPUSED-WFUPGROFSA-N
SMILES
C([C@@H]([C@@H]([C@@H](COP(OP(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=3C(N=C2)=C(N)N=CN3)(=O)O)(=O)O)O)O)O)N4C=5C(=NC=6C4=CC(C)=C(C)C6)C(=O)NC(=O)N5.[Na]
Canonical SMILES
[Na].O=C1N=C2C(=NC=3C=C(C(=CC3N2CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC=6C(=NC=NC65)N)C(O)C4O)C)C)C(=O)N1
Other Names for this Substance
- Riboflavin 5′-(trihydrogen diphosphate), P′→5′-ester with adenosine, sodium salt (1:2)
- Riboflavin 5′-(trihydrogen diphosphate), P′→5′-ester with adenosine, disodium salt
- Benzo[g]pteridine, riboflavin 5′-(trihydrogen diphosphate) deriv.
- FAD sodium salt
- Flavin adenine dinucleotide sodium salt
Deleted or Replaced CAS Registry Numbers
887419-95-6
