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Substance Name: 1,5(6H)-Pyrimidinedicarboxylic acid, 2,4-dimethyl-6-(2-nitrophenyl)-, 5-(cyclopropylmethyl)1-(2-((phenylmethyl)(3-phenylpropyl)amino)ethyl) ester
RN: 117049-70-4
InChIKey: LDCLTFJZARIIDB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H40-N4-O6

Molecular Weight

  • 624.734
 
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Names and Synonyms

  • 1,5(6H)-Pyrimidinedicarboxylic acid, 2,4-dimethyl-6-(2-nitrophenyl)-, 5-(cyclopropylmethyl)1-(2-((phenylmethyl)(3-phenylpropyl)amino)ethyl) ester

Registry Numbers

CAS Registry Number

  • 117049-70-4

System Generated Number

  • 0117049704

Structure Descriptors

InChI

1S/C36H40N4O6/c1-26-33(35(41)46-25-30-19-20-30)34(31-17-9-10-18-32(31)39(44)45)40(36(42)43,27(2)37-26)23-22-38(24-29-14-7-4-8-15-29)21-11-16-28-12-5-3-6-13-28/h3-10,12-15,17-18,30H,11,16,19-25H2,1-2H3,(H,42,43)

InChIKey

LDCLTFJZARIIDB-UHFFFAOYSA-N

Smiles

CC1=C(C(=N(C(=N1)C)(CCN(CCCc2ccccc2)Cc3ccccc3)C(=O)O)c4ccccc4[N+](=O)[O-])C(=O)OCC5CC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   United States Patent Document. Vol. #4772602,
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4772602,