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Substance Name: Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-benzoyl-beta-D-ribopyranosyl)-
RN: 65162-99-4
InChIKey: IPMTUTNLRLJNLO-ZGFBMJKBSA-N

Molecular Formula

  • C29-H26-Cl-N3-O9

Molecular Weight

  • 595.9894
 
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Names and Synonyms

Synonyms

  • ((Chloro-2 ethyl)-3 nitroso-3 ureido)-1' tri-O-benzoyl-2',3',4' beta-D-ribopyrannose
  • BRN 1415848
  • N-(2-Chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-benzoyl-beta-D-ribopyranosyl)urea

Systematic Name

  • Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4-tri-O-benzoyl-beta-D-ribopyranosyl)-

Registry Numbers

CAS Registry Number

  • 65162-99-4

System Generated Number

  • 0065162994

Structure Descriptors

InChI

1S/C29H26ClN3O9/c30-16-17-33(32-38)29(37)31-25-24(42-28(36)21-14-8-3-9-15-21)23(41-27(35)20-12-6-2-7-13-20)22(18-39-25)40-26(34)19-10-4-1-5-11-19/h1-15,22-25H,16-18H2,(H,31,37)/t22-,23-,24-,25-/m1/s1

InChIKey

IPMTUTNLRLJNLO-ZGFBMJKBSA-N

Smiles

c1ccc(cc1)C(=O)O[C@@H]2CO[C@H]([C@@H]([C@@H]2OC(=O)c3ccccc3)OC(=O)c4ccccc4)NC(=O)N(CCCl)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 12, Pg. 397, 1977.