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Substance Name: 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex
RN: 78093-77-3
InChIKey: YJGCYCWZAMSUSY-UHFFFAOYSA-N

Note

  • Model for FAD exhibiting intramolecular hydrogen bonding.

Molecular Weight

  • 606.59
 
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Names and Synonyms

Name of Substance

  • 7,8-Dimethylisoalloxazine-10-acetic acid-adenin-9-ylethylamine complex

Synonym

  • Dia-aea

Systematic Name

  • Benzo(g)pteridine-10(2H)-acetic acid, 1,3,4,9a-tetrahydro-7,8-dimethyl-2,4-dioxo-, compd. with N9-ethyl-9H-purine-6,9-diamine, tetrahydrate

Registry Numbers

CAS Registry Number

  • 78093-77-3

System Generated Number

  • 0078093773

Structure Descriptors

InChI

1S/C14H14N4O4.C7H10N6.7H2O/c1-6-3-8-9(4-7(6)2)18(5-10(19)20)12-11(15-8)13(21)17-14(22)16-12;1-2-12-13-4-11-5-6(8)9-3-10-7(5)13;;;;;;;/h3-4,9H,5H2,1-2H3,(H,19,20)(H2,16,17,21,22);3-4,12H,2H2,1H3,(H2,8,9,10);7*1H2

InChIKey

YJGCYCWZAMSUSY-UHFFFAOYSA-N

Smiles

n1cn(c2ncnc(c12)N)NCC.O.[nH]1c([nH]c(c2N=C3[C@@H](N(c12)CC(=O)O)C=C(C(=C3)C)C)=O)=O.O.O.O.O.O.O