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Substance Name: Benzamide, N-(2-(hexahydro-1H-pyrrolizin-7a-yl)ethyl)-p-nitro-, hydrochloride, hydrate (3.3.1)
ID: CV50467600
InChIKey: AOVVKRHXJWDIJB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N3-O3.Cl-H.1/3H2-O

Molecular Weight

  • 1037.4772
 
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Names and Synonyms

Synonym

  • N-(2-(Hexahydro-1H-pyrrolizin-7a-yl)ethyl)-p-nitrobenzamide hydrochloride hydrate (3.3.1)

Systematic Name

  • Benzamide, N-(2-(hexahydro-1H-pyrrolizin-7a-yl)ethyl)-p-nitro-, hydrochloride, hydrate (3.3.1)

Registry Numbers

ID Number

  • NIOSH/CV5046760

System Generated Number

  • CV50467600

Molecular Formulas

Molecular Formula

  • C16-H21-N3-O3.Cl-H.1/3H2-O

Molecular Formula Fragments

  • C16-H21-N3-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/3C16H21N3O3.3ClH.H2O/c3*20-15(13-3-5-14(6-4-13)19(21)22)17-10-9-16-7-1-11-18(16)12-2-8-16;;;;/h3*3-6H,1-2,7-12H2,(H,17,20);3*1H;1H2

InChIKey

AOVVKRHXJWDIJB-UHFFFAOYSA-N

Smiles

O.Cl.Cl.Cl.[O-][N+](=O)c1ccc(cc1)C(=O)NCCC23CCCN2CCC3.[O-][N+](=O)c4ccc(cc4)C(=O)NCCC56CCCN5CCC6.[O-][N+](=O)c7ccc(cc7)C(=O)NCCC89CCCN8CCC9