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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 5-ester with 5-(3-hydroxypropyl)-5-phenylbarbituric acid
RN: 33837-49-9
InChIKey: VNVCNOOKZKEVIN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H24-N2-O8

Molecular Weight

  • 456.449
 
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Names and Synonyms

Synonyms

  • 3,4,5-Trimethoxybenzoic acid 5-ester with 5-(3-hydroxypropyl)-5-phenylbarbituric acid
  • BRN 0731748

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 5-ester with 5-(3-hydroxypropyl)-5-phenylbarbituric acid

Registry Numbers

CAS Registry Number

  • 33837-49-9

System Generated Number

  • 0033837499

Structure Descriptors

InChI

1S/C23H24N2O8/c1-30-16-12-14(13-17(31-2)18(16)32-3)19(26)33-11-7-10-23(15-8-5-4-6-9-15)20(27)24-22(29)25-21(23)28/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H2,24,25,27,28,29)

InChIKey

VNVCNOOKZKEVIN-UHFFFAOYSA-N

Smiles

C(=O)(OCCCC1(C(NC(NC1=O)=O)=O)c1ccccc1)c1cc(c(c(c1)OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 853, 1971.