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Substance Name: 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2,2'-(azoxydi-m-phenylene)bis(3-phenylacrylate)(2:1) (ester), dihydrochloride, sesquihydrate
RN: 26989-57-1
InChIKey: GNKFKQUHOFMXPE-XRUFFGBHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H48-N4-O5.2Cl-H.3/2H2-O

Molecular Weight

  • 809.83
 
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Names and Synonyms

Synonym

  • 3,3'-Diphenyl-2,2'-(azoxydi-(m-phenylene))diacrylic acid bis(3-tropanyl) ester 2HCl H2O

Systematic Name

  • 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2,2'-(azoxydi-m-phenylene)bis(3-phenylacrylate)(2:1) (ester), dihydrochloride, sesquihydrate

Registry Numbers

CAS Registry Number

  • 26989-57-1

System Generated Number

  • 0026989571

Molecular Formulas

Molecular Formula

  • C46-H48-N4-O5.2Cl-H.3/2H2-O

Molecular Formula Fragments

  • C46-H48-N4-O5
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C46H48N4O5.2ClH/c1-48-36-19-20-37(48)28-41(27-36)54-45(51)43(23-31-11-5-3-6-12-31)33-15-9-17-35(25-33)47-50(53)40-18-10-16-34(26-40)44(24-32-13-7-4-8-14-32)46(52)55-42-29-38-21-22-39(30-42)49(38)2;;/h3-18,23-26,36-39,41-42H,19-22,27-30H2,1-2H3;2*1H/b43-23-,44-24-,50-47+;;

InChIKey

GNKFKQUHOFMXPE-XRUFFGBHSA-N

Smiles

Cl.O(C1C[C@@H]2CC[C@@H](C1)N2C)C(\C(=C/c1ccccc1)c1cc(ccc1)\N=[N+](\[O-])c1cc(ccc1)C(\C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)=C/c1ccccc1)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1024mg/kg (1024mg/kg)   Journal of Pharmaceutical Sciences. Vol. 60, Pg. 1102, 1971.