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Substance Name: Pimelic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)
RN: 19847-08-6
InChIKey: AZCAYVGDYSGPJJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H48-N4-O4.4Cl-H.4H2-O

Molecular Weight

  • 638.544
 
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Names and Synonyms

  • Pimelic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)

Registry Numbers

CAS Registry Number

  • 19847-08-6

System Generated Number

  • 0019847086

Molecular Formulas

Molecular Formula

  • C27-H48-N4-O4.4Cl-H.4H2-O

Molecular Formula Fragments

  • C27-H48-N4-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H48N4O4.4ClH/c1-28-18-22-8-6-9-23(19-28)30(22)14-16-34-26(32)12-4-3-5-13-27(33)35-17-15-31-24-10-7-11-25(31)21-29(2)20-24;;;;/h22-25H,3-21H2,1-2H3;4*1H

InChIKey

AZCAYVGDYSGPJJ-UHFFFAOYSA-N

Smiles

Cl.C(=O)(OCCN1[C@@H]2CN(C[C@@H]1CCC2)C)CCCCCC(=O)OCCN1[C@@H]2CN(C[C@@H]1CCC2)C.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 114mg/kg (114mg/kg)   Pharmaceutical Chemistry Journal Vol. 2, Pg. 62, 1968.