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Substance Name: Benzo-ATP
RN: 61925-58-4
InChIKey: GQKSSPZWXCSSJT-HKUMRIAESA-N

Molecular Weight

  • 557.24
 
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Names and Synonyms

Name of Substance

  • Benzo-ATP

Synonyms

  • Benzo-adenosine triphosphate
  • Linear benzo-ATP

Systematic Name

  • 3H-Imidazo(4,5-g)quinazolin-8-amine, 3-(5-O-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-D-ribofuranosyl)-

Registry Numbers

CAS Registry Number

  • 61925-58-4

System Generated Number

  • 0061925584

Structure Descriptors

InChI

1S/C14H18N5O13P3/c15-13-6-1-8-9(2-7(6)16-4-17-13)19(5-18-8)14-12(21)11(20)10(30-14)3-29-34(25,26)32-35(27,28)31-33(22,23)24/h1-2,4-5,10-12,14,20-21H,3H2,(H,25,26)(H,27,28)(H2,15,16,17)(H2,22,23,24)/t10-,11-,12-,14-/m1/s1

InChIKey

GQKSSPZWXCSSJT-HKUMRIAESA-N

Smiles

n1cnc(c2cc3c(cc12)n(cn3)[C@H]1[C@H](O)[C@H](O)[C@H](O1)CO[P@@](=O)(O[P@@](=O)(OP(=O)(O)O)O)O)N