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Substance Name: Benzamide, N-(2-(hexahydro-1H-pyrrolizin-7a-yl)ethyl)-m-nitro-, hydrochloride, hydrate (4.4.3)
ID: CV50467400
InChIKey: MRLRHKJQIDGABH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-N3-O3.Cl-H.3/4H2-O

Molecular Weight

  • 1413.3276
 
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Names and Synonyms

Synonym

  • N-(2-(Hexahydro-1H-pyrrolizin-7a-yl)ethyl)-m-nitrobenzamide hydrochloride hydrate (4.4.3)

Systematic Name

  • Benzamide, N-(2-(hexahydro-1H-pyrrolizin-7a-yl)ethyl)-m-nitro-, hydrochloride, hydrate (4.4.3)

Registry Numbers

ID Number

  • NIOSH/CV5046740

System Generated Number

  • CV50467400

Molecular Formulas

Molecular Formula

  • C16-H21-N3-O3.Cl-H.3/4H2-O

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/4C16H21N3O3.4ClH.3H2O/c4*20-15(13-4-1-5-14(12-13)19(21)22)17-9-8-16-6-2-10-18(16)11-3-7-16;;;;;;;/h4*1,4-5,12H,2-3,6-11H2,(H,17,20);4*1H;3*1H2

InChIKey

MRLRHKJQIDGABH-UHFFFAOYSA-N

Smiles

O.O.O.Cl.Cl.Cl.Cl.[O-][N+](=O)c1cccc(c1)C(=O)NCCC23CCCN2CCC3.[O-][N+](=O)c4cccc(c4)C(=O)NCCC56CCCN5CCC6.[O-][N+](=O)c7cccc(c7)C(=O)NCCC89CCCN8CCC9.[O-][N+](=O)c%10cccc(c%10)C(=O)NCCC%11%12CCCN%11CCC%12