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Substance Name: scyllo-Inositol, 1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-1-deoxy-
RN: 58484-20-1
InChIKey: DKSKVMFAIUVFEW-UHFFFAOYSA-N

Molecular Formula

  • C9-H16-Cl-N3-O7

Molecular Weight

  • 313.692
 
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Names and Synonyms

Synonyms

  • 1-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-1-deoxy-scyllo-inositol
  • BRN 2896043
  • NSC 275618

Systematic Name

  • scyllo-Inositol, 1-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-1-deoxy-

Registry Numbers

CAS Registry Number

  • 58484-20-1

System Generated Number

  • 0058484201

Structure Descriptors

InChI

1S/C9H16ClN3O7/c10-1-2-13(12-20)9(19)11-3-4(14)6(16)8(18)7(17)5(3)15/h3-8,14-18H,1-2H2,(H,11,19)

InChIKey

DKSKVMFAIUVFEW-UHFFFAOYSA-N

Smiles

C1([C@@H]([C@@H](C(O)[C@@H]([C@@H]1O)O)O)O)NC(N(N=O)CCCl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,