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Substance Name: 2,4,6(1H,3H,5H)-s-Triazine-delta(sup 2,alpha),delta(sup 4,alpha'),delta(sup 6,alpha'')-trimalonic acid, hexaethyl ester
RN: 39945-18-1
InChIKey: CXLPQHRVFUIUIX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H33-N3-O12

Molecular Weight

  • 555.5337
 
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Names and Synonyms

Synonym

  • BRN 4732472

Systematic Name

  • 2,4,6(1H,3H,5H)-s-Triazine-delta(sup 2,alpha),delta(sup 4,alpha'),delta(sup 6,alpha'')-trimalonic acid, hexaethyl ester

Registry Numbers

CAS Registry Number

  • 39945-18-1

System Generated Number

  • 0039945181

Structure Descriptors

InChI

1S/C24H33N3O12/c1-7-34-19(28)13(20(29)35-8-2)16-25-17(14(21(30)36-9-3)22(31)37-10-4)27-18(26-16)15(23(32)38-11-5)24(33)39-12-6/h25-27H,7-12H2,1-6H3

InChIKey

CXLPQHRVFUIUIX-UHFFFAOYSA-N

Smiles

CCOC(=O)C(=C1NC(=C(C(=O)OCC)C(=O)OCC)NC(=C(C(=O)OCC)C(=O)OCC)N1)C(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 parenteral 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 491, 1981.