FADH2

CAS Registry Number®

1910-41-4
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CAS Name

FADH2

Molecular Formula

C27H35N9O15P2

Molecular Mass

787.57

Cite this Page

FADH2.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1910-41-4 (retrieved 2024-04-19) (CAS RN: 1910-41-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H35N9O15P2/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/h3-4,8-9,14-16,19-21,26,32,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H2,33,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1

InChIKey

InChIKey=YPZRHBJKEMOYQH-UYBVJOGSSA-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)N4C5=C(NC=6C4=CC(C)=C(C)C6)C(=O)NC(=O)N5

Canonical SMILES

O=C1NC(=O)C=2NC=3C=C(C(=CC3N(C2N1)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(N5C=NC=6C(=NC=NC65)N)C(O)C4O)C)C

Other Names for this Substance

  • Riboflavin 5′-(trihydrogen diphosphate), 1,5-dihydro-, P′→5′-ester with adenosine
  • Adenosine 5′-(trihydrogen pyrophosphate), 5′→5′-ester with 5,10-dihydro-7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)alloxazine
  • Adenosine pyrophosphate, 5′→5′-ester with 5,10-dihydro-7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)alloxazine
  • Benzo[g]pteridine, riboflavin 5′-(trihydrogen diphosphate) deriv.
  • FADH

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Deleted or Replaced CAS Registry Numbers

25342-67-0, 1228792-62-8

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