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Substance Name: 9-(2-Methylidene-3-(phosphonomethoxy)propyl)guanine
RN: 176434-89-2
InChIKey: KCQPHHMIPYIKOA-UHFFFAOYSA-N

Note

  • Has anti-HIV activity; acyclonucleotide analog of cGMP.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H16-N5-O5-P

Molecular Weight

  • 329.251
 
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Names and Synonyms

Name of Substance

  • 9-(2-Methylidene-3-(phosphonomethoxy)propyl)guanine

Synonyms

  • ((4-(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-methylenebutoxy)methyl)phosphonic acid
  • ((4-(2-Amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-methylenebutoxy)methyl)phosphoric acid
  • 9-(2-Methylidene-3-(phosphonomethoxy)propyl)guanine
  • MDL 74,968

Systematic Names

  • Phosphonic acid, ((4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-methylenebutoxy)methyl)-
  • Phosphoric acid, ((4-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-2-methylenebutoxy)methyl)-

Registry Numbers

CAS Registry Number

  • 176434-89-2

System Generated Number

  • 0176434892

Structure Descriptors

InChI

1S/C11H16N5O5P/c1-7(4-21-6-22(18,19)20)2-3-16-5-13-8-9(16)14-11(12)15-10(8)17/h5H,1-4,6H2,(H2,18,19,20)(H3,12,14,15,17)

InChIKey

KCQPHHMIPYIKOA-UHFFFAOYSA-N

Smiles

n1c([nH]c2c(ncn2CCC(COCP(O)(O)=O)=C)c1=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 1600mg/kg (1600mg/kg)   Antimicrobial Agents and Chemotherapy. Vol. 40, Pg. 1072, 1996.
mouse LDLo intravenous 1gm/kg (1000mg/kg)   Antimicrobial Agents and Chemotherapy. Vol. 40, Pg. 1072, 1996.