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Substance Name: Pyrrolo(2,3-g)-1,5-benzodiazepine-9-carboxylic acid, 3,10-dihydro-2,4-dimethyl-, ethyl ester
RN: 113597-47-0
InChIKey: NWCUUDNKMBOBNH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N3-O2

Molecular Weight

  • 283.3293
 
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Names and Synonyms

Synonyms

  • BRN 5576894
  • Ethyl 2,4-dimethyl-3H-(1,4)diazepine(2,3-g)indole-9-carbonate

Systematic Name

  • Pyrrolo(2,3-g)-1,5-benzodiazepine-9-carboxylic acid, 3,10-dihydro-2,4-dimethyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 113597-47-0

System Generated Number

  • 0113597470

Structure Descriptors

InChI

1S/C16H17N3O2/c1-4-21-16(20)13-8-11-5-6-12-15(14(11)19-13)18-10(3)7-9(2)17-12/h5-6,8,19H,4,7H2,1-3H3

InChIKey

NWCUUDNKMBOBNH-UHFFFAOYSA-N

Smiles

CCOC(=O)c1cc2ccc3c(c2[nH]1)N=C(CC(=N3)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 874, 1987.