Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 5'-Adenylic acid, N-benzyl-, diammonium salt
RN: 102366-80-3
InChIKey: NMJDWJAJQXXTPT-CXKSGAPPSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data

Molecular Formula

  • C17-H18-N5-O7-P.2H4-N

Molecular Weight

  • 471.408
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • Adenosine, N-benzyl-, 5'-monophosphate, diammonium salt
  • N(sup 6)Bar5P
  • N(sup 6)Benzyladenosine-5'-monophosphate diammonium salt

Systematic Name

  • 5'-Adenylic acid, N-benzyl-, diammonium salt

Registry Numbers

CAS Registry Number

  • 102366-80-3

System Generated Number

  • 0102366803

Molecular Formulas

Molecular Formula

  • C17-H18-N5-O7-P.2H4-N

Molecular Formula Fragments

  • C17-H18-N5-O7-P
  • COMPONENT
  • H4-N

Structure Descriptors

InChI

1S/C17H20N5O7P.2H3N/c23-13-11(7-28-30(25,26)27)29-17(14(13)24)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-2-1-3-5-10;;/h1-5,8-9,11,13-14,17,23-24H,6-7H2,(H,18,19,20)(H2,25,26,27);2*1H3/t11-,13-,14-,17-;;/m1../s1

InChIKey

NMJDWJAJQXXTPT-CXKSGAPPSA-N

Smiles

n1(c2c(c(NCc3ccccc3)ncn2)nc1)[C@@H]1O[C@H](COP(O)(O)=O)[C@H]([C@H]1O)O.N.N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo intravenous 60mg/kg/3D-I (60mg/kg) CARDIAC: CHANGE IN RATE

LIVER: LIVER FUNCTION TESTS IMPAIRED

LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"
Cancer Treatment Reports. Vol. 62, Pg. 1371, 1978.