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Substance Name: 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 2,2'-(azodi-m-phenylene)bis(3- phenylacrylate) (2:1) (ester), dihydrochloride, dihydrate
RN: 31915-45-4
InChIKey: NKXDVZAWMRTIAJ-AXORUHNJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C46-H48-N4-O4.2Cl-H.2H2-O

Molecular Weight

  • 793.831
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 31915-45-4

System Generated Number

  • 0031915454

Molecular Formulas

Molecular Formula

  • C46-H48-N4-O4.2Cl-H.2H2-O

Molecular Formula Fragments

  • C46-H48-N4-O4
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C46H48N4O4.2ClH/c1-49-37-19-20-38(49)28-41(27-37)53-45(51)43(23-31-11-5-3-6-12-31)33-15-9-17-35(25-33)47-48-36-18-10-16-34(26-36)44(24-32-13-7-4-8-14-32)46(52)54-42-29-39-21-22-40(30-42)50(39)2;;/h3-18,23-26,37-42H,19-22,27-30H2,1-2H3;2*1H/b43-23-,44-24-,48-47+;;

InChIKey

NKXDVZAWMRTIAJ-AXORUHNJSA-N

Smiles

Cl.Cl.c1(C(\C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)=C/c2ccccc2)cc(ccc1)\N=N\c1cc(ccc1)C(\C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)=C/c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 256mg/kg (256mg/kg)   Journal of Pharmaceutical Sciences. Vol. 60, Pg. 1102, 1971.