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Substance Name: GCNU
RN: 33073-62-0
UNII: H4RUI6KA8W
InChIKey: GKFKUZBTGYKBFS-XIHUBIEQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H24-Cl-N3-O11

Molecular Weight

  • 481.84
 
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Names and Synonyms

Name of Substance

  • GCNU

Synonyms

  • 1-(2-Chloroethyl)-1-nitroso-3-(1,3,4,6-tetra-O-acetyl-2-deoxy-D-glucopyranos-2-yl)urea
  • AI3-52794
  • GCNU
  • Glucopyranose, 2-(3-(2-chloroethyl)-3-nitrosoureido)-2-deoxy-, tetraacetate (ester), D-
  • NSC 114460
  • UNII-H4RUI6KA8W

Systematic Names

  • D-Glucopyranose, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2-deoxy-, 1,3,4,6-tetraacetate
  • Urea, 1-(2-chloroethyl)-1-nitroso-3-(1,3,4,6-tetra-O-acetyl-2-deoxy-D-glucopyranos-2-yl)-

Registry Numbers

CAS Registry Number

  • 33073-62-0

FDA UNII

  • H4RUI6KA8W

System Generated Number

  • 0033073620

Structure Descriptors

InChI

1S/C17H24ClN3O11/c1-8(22)28-7-12-14(29-9(2)23)15(30-10(3)24)13(16(32-12)31-11(4)25)19-17(26)21(20-27)6-5-18/h12-16H,5-7H2,1-4H3,(H,19,26)/t12-,13-,14-,15-,16?/m1/s1

InChIKey

GKFKUZBTGYKBFS-XIHUBIEQSA-N

Smiles

C(N[C@@H]1[C@H]([C@H](OC(=O)C)[C@H](O[C@@H]1OC(=O)C)COC(=O)C)OC(=O)C)(N(N=O)CCCl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16650ug/kg (16.65mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,