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Substance Name: ML 1035
RN: 54504-71-1
InChIKey: YMCNTAHTWKEECY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-Cl-N4-O6

Molecular Weight

  • 422.823
 
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Names and Synonyms

Name of Substance

  • ML 1035

Synonyms

  • 1-(7-Theophyllinyl)-2-hydroxy-3-propyl (p-chlorophenoxyacetate)
  • BRN 1233885
  • ML 1035

Systematic Name

  • Acetic acid, (4-chlorophenoxy)-, 2-hydroxy-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)propyl ester

Registry Numbers

CAS Registry Number

  • 54504-71-1

System Generated Number

  • 0054504711

Structure Descriptors

InChI

1S/C18H19ClN4O6/c1-21-16-15(17(26)22(2)18(21)27)23(10-20-16)7-12(24)8-29-14(25)9-28-13-5-3-11(19)4-6-13/h3-6,10,12,24H,7-9H2,1-2H3

InChIKey

YMCNTAHTWKEECY-UHFFFAOYSA-N

Smiles

C(COc1ccc(cc1)Cl)(=O)OC[C@@H](Cn1cnc2n(c(n(c(c12)=O)C)=O)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2150mg/kg (2150mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 1686, 1975.