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Substance Name: Ammonium, (2-hydroxyethyl)trimethyl-, bromide, ester with bis(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphate
RN: 69387-81-1
InChIKey: WNQLUCVSZGZAKR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H35-N9-O7-P.Br

Molecular Weight

  • 676.4625
 
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Names and Synonyms

  • Ammonium, (2-hydroxyethyl)trimethyl-, bromide, ester with bis(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl) phosphate

Registry Numbers

CAS Registry Number

  • 69387-81-1

System Generated Number

  • 0069387811

Molecular Formulas

Molecular Formula

  • C23-H35-N9-O7-P.Br

Molecular Formula Fragments

  • Br
  • C23-H35-N9-O7-P
  • COMPONENT

Structure Descriptors

InChI

1S/C23H35N9O8P.BrH/c1-26-18-16(20(33)28(3)22(26)35)30(14-24-18)8-11-38-41(37,40-13-10-32(5,6)7)39-12-9-31-15-25-19-17(31)21(34)29(4)23(36)27(19)2;/h14-15H,8-13H2,1-7H3;1H/q+1;/p-1

InChIKey

WNQLUCVSZGZAKR-UHFFFAOYSA-M

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCOP(=O)(OCCn3cnc4c3c(=O)n(c(=O)n4C)C)OCC[N+](C)(C)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 97mg/kg (97mg/kg)   Annales Pharmaceutiques Francaises. Vol. 36, Pg. 341, 1978.