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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester
RN: 135101-49-4
InChIKey: FNFKQVXZYYBDCV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H39-N5-O12

Molecular Weight

  • 685.6831
 
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Names and Synonyms

  • Benzoic acid, 3,4,5-trimethoxy-, ((2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)imino)di-2,1-ethanediyl ester

Registry Numbers

CAS Registry Number

  • 135101-49-4

System Generated Number

  • 0135101494

Structure Descriptors

InChI

1S/C32H39N5O12/c1-34-24-27(35(2)32(41)36(3)28(24)38)33-31(34)37(10-12-48-29(39)18-14-20(42-4)25(46-8)21(15-18)43-5)11-13-49-30(40)19-16-22(44-6)26(47-9)23(17-19)45-7/h14-17H,10-13H2,1-9H3

InChIKey

FNFKQVXZYYBDCV-UHFFFAOYSA-N

Smiles

Cn1c2c(nc1N(CCOC(=O)c3cc(c(c(c3)OC)OC)OC)CCOC(=O)c4cc(c(c(c4)OC)OC)OC)n(c(=O)n(c2=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6354mg/kg (6354mg/kg)   Farmatsiya Vol. 40(4), Pg. 29, 1990.