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Substance Name: Lodazecar [INN]
RN: 87646-83-1
UNII: T4D9016A00
InChIKey: DEYVHVVHCGGWLZ-LBPRGKRZSA-N

Molecular Formula

  • C22-H24-Br-Cl-N4-O4

Molecular Weight

  • 523.8126
 
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Names and Synonyms

Name of Substance

  • Lodazecar [INN]
  • Ro 16-0521

Synonyms

  • 1-(1,1-Bis(hydroxymethyl)ethyl)-3-((S)-6-bromo-5-(o-chlorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)urea
  • Lodazecar
  • Lodazecarum
  • Lodazecarum [Latin]
  • UNII-T4D9016A00

Systematic Names

  • 1-(1,1-Bis(hydroxymethyl)ethyl)-3-((S)-6-bromo-5-(o-chlorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)urea
  • Urea, N-(6-bromo-5-(2-chlorophenyl)-2,3-dihydro-1,3-dimethyl-2-oxo-1H-1,4-benzodiazepin-7-yl)-N'-(2-hydroxy-1-(hydroxymethyl)-1-methylethyl)-, (S)-

Registry Numbers

CAS Registry Number

  • 87646-83-1

FDA UNII

  • T4D9016A00

System Generated Number

  • 0087646831

Structure Descriptors

InChI

1S/C22H24BrClN4O4/c1-12-20(31)28(3)16-9-8-15(26-21(32)27-22(2,10-29)11-30)18(23)17(16)19(25-12)13-6-4-5-7-14(13)24/h4-9,12,29-30H,10-11H2,1-3H3,(H2,26,27,32)/t12-/m0/s1

InChIKey

DEYVHVVHCGGWLZ-LBPRGKRZSA-N

Smiles

C[C@H]1C(=O)N(c2ccc(c(c2C(=N1)c3ccccc3Cl)Br)NC(=O)NC(C)(CO)CO)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4474777,