Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1)
RN: 75231-25-3
InChIKey: UYGQTGRJPBNZRX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N3-O5.1/2H2-O4-S

Molecular Weight

  • 776.857
 
* 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

Synonym

  • 3,4,5-Trimethoxybenzoic acid 5-guanidinopentyl ester sulfate (2:1)

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 5-guanidinopentyl ester, sulfate (2:1)

Registry Numbers

CAS Registry Number

  • 75231-25-3

System Generated Number

  • 0075231253

Molecular Formulas

Molecular Formula

  • C16-H25-N3-O5.1/2H2-O4-S

Molecular Formula Fragments

  • C16-H25-N3-O5
  • COMPONENT
  • H2-O4-S

Structure Descriptors

InChI

1S/2C16H25N3O5.H2O4S/c2*1-21-12-9-11(10-13(22-2)14(12)23-3)15(20)24-8-6-4-5-7-19-16(17)18;1-5(2,3)4/h2*9-10H,4-8H2,1-3H3,(H4,17,18,19);(H2,1,2,3,4)

InChIKey

UYGQTGRJPBNZRX-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OCCCCCNC(N)=[NH+])=O)cc1OC)OC)OC.c1(c(cc(C(OCCCCCNC(N)=[NH+])=O)cc1OC)OC)OC.S(=O)(=O)([O-])[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 246mg/kg (246mg/kg)   Asian Journal of Pharmaceutical Sciences. Vol. 1, Pg. 91, 1979.