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Substance Name: D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate)
RN: 133908-64-2
InChIKey: XQPOVBCKDLLKDQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-N2-O9

Molecular Weight

  • 460.4366
 
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Names and Synonyms

  • D-Glucitol, 1,4:3,6-dianhydro-, 5-(methyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylate)

Registry Numbers

CAS Registry Number

  • 133908-64-2

System Generated Number

  • 0133908642

Structure Descriptors

InChI

1S/C22H24N2O9/c1-10-16(21(26)30-3)18(12-5-4-6-13(7-12)24(28)29)17(11(2)23-10)22(27)33-15-9-32-19-14(25)8-31-20(15)19/h4-7,14-15,18-20,23,25H,8-9H2,1-3H3

InChIKey

XQPOVBCKDLLKDQ-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OC2COC3C2OCC3O)c4cccc(c4)[N+](=O)[O-])C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1250mg/kg (1250mg/kg)   German Offenlegungsschrift Patent Document. Vol. #3831949,
rat LD50 oral > 4gm/kg (4000mg/kg)   German Offenlegungsschrift Patent Document. Vol. #3831949,