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Substance Name: Benzonitrile, 4-hydroxy-3-iodo-5-nitro-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
ID: DI46070000
InChIKey: LCQWIOIUMDABGD-WZTVWXICSA-N

Molecular Formula

  • C7-H3-I-N2-O3.C7-H17-N-O5

Molecular Weight

  • 485.225
 
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Names and Synonyms

Synonyms

  • 4-Hydroxy-3-iodo-5-nitrobenzonitrile compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, compd. with 4-hydroxy-3-iodo-5-nitrobenzonitrile (1:1)
  • M & B 10755 N-Methylglucamine salt
  • M & B 10755A

Systematic Name

  • Benzonitrile, 4-hydroxy-3-iodo-5-nitro-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)

Registry Numbers

ID Number

  • NIOSH/DI4607000

System Generated Number

  • DI46070000

Molecular Formulas

Molecular Formula

  • C7-H3-I-N2-O3.C7-H17-N-O5

Molecular Formula Fragments

  • C7-H17-N-O5
  • C7-H3-I-N2-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C7H3IN2O3.C7H17NO5/c8-5-1-4(3-9)2-6(7(5)11)10(12)13;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2,11H;4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

InChIKey

LCQWIOIUMDABGD-WZTVWXICSA-N

Smiles

CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Oc1c(I)cc(cc1[N+](=O)[O-])C#N