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Substance Name: R 49
RN: 1446-35-1
InChIKey: MXFOQZLUCVHVRD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H28-N2-O10-S2.Cl-H

Molecular Weight

  • 460.95
 
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Names and Synonyms

Results Name

  • R 49

Synonym

  • R 49

Systematic Name

  • D-Mannitol, 1,6-dideoxy-1,6-bis((2-hydroxyethyl)amino)-, 1,6-dimethanesulfonate (ester), dihydrochloride

Registry Numbers

CAS Registry Number

  • 1446-35-1

System Generated Number

  • 0001446351

Molecular Formulas

Molecular Formula

  • C12-H28-N2-O10-S2.Cl-H

Molecular Formula Fragments

  • C12-H28-N2-O10-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H28N2O10S2.ClH/c1-25(19,20)23-5-3-13-7-9(15)11(17)12(18)10(16)8-14-4-6-24-26(2,21)22;/h9-18H,3-8H2,1-2H3;1H

InChIKey

MXFOQZLUCVHVRD-UHFFFAOYSA-N

Smiles

O[C@@H]([C@@H]([C@@H](C[NH2+]CCOS(C)(=O)=O)O)O)[C@@H](CNCCOS(C)(=O)=O)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 40mg/kg (40mg/kg)   Neoplasma. Vol. 11, Pg. 529, 1964.
rat LD50 intraperitoneal 60mg/kg (60mg/kg)   Neoplasma. Vol. 11, Pg. 529, 1964.