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Substance Name: Xanthosine, 2'-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2'-deoxy-
RN: 70865-73-5
InChIKey: JVCIXERWHVYLKA-HUKYDQBMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-Cl-N7-O7

Molecular Weight

  • 417.7644
 
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Names and Synonyms

Synonyms

  • 2'-((((2-Chloroethyl)nitrosoamino)carbonyl)amino)-2'-deoxyxanthosine
  • BRN 1195303

Systematic Name

  • Xanthosine, 2'-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2'-deoxy-

Registry Numbers

CAS Registry Number

  • 70865-73-5

System Generated Number

  • 0070865735

Structure Descriptors

InChI

1S/C13H16ClN7O7/c14-1-2-21(19-27)13(26)16-6-8(23)5(3-22)28-11(6)20-4-15-7-9(20)17-12(25)18-10(7)24/h4-6,8,11,22-23H,1-3H2,(H,16,26)(H2,17,18,24,25)/t5-,6-,8-,11-/m1/s1

InChIKey

JVCIXERWHVYLKA-HUKYDQBMSA-N

Smiles

c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)NC(=O)N(CCCl)N=O)[nH]c(=O)[nH]c2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 68mg/kg (68mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 27, Pg. 765, 1979.