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Substance Name: Adipic acid, bis(2-(3-methyl-3,9-diazabicyclo(3.3.1)non-9-yl)ethyl) ester, hydrochloride, hydrate (1:4:4)
RN: 17010-56-9
InChIKey: JQPXXCLZTFSIJY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H46-N4-O4.4Cl-H.4H2-O

Molecular Weight

  • 624.517
 
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Names and Synonyms

  • Adipic 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

  • 17010-56-9

System Generated Number

  • 0017010569

Molecular Formulas

Molecular Formula

  • C26-H46-N4-O4.4Cl-H.4H2-O

Molecular Formula Fragments

  • C26-H46-N4-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H46N4O4.4ClH/c1-27-17-21-7-5-8-22(18-27)29(21)13-15-33-25(31)11-3-4-12-26(32)34-16-14-30-23-9-6-10-24(30)20-28(2)19-23;;;;/h21-24H,3-20H2,1-2H3;4*1H

InChIKey

JQPXXCLZTFSIJY-UHFFFAOYSA-N

Smiles

C(CCCCC(=O)OCCN1[C@@H]2CN(C[C@@H]1CCC2)C)(=O)OCCN1[C@@H]2CCC[C@@H]1CN(C)C2.Cl.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.