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Substance Name: AN-9a
RN: 87896-35-3
InChIKey: OPNRSRUBCMQEJA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N2-O2

Molecular Weight

  • 296.368
 
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Names and Synonyms

Results Name

  • AN-9a

Synonyms

  • 2,3,4,5-Tetrahydro-4-phenyl-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester
  • AN-9a

Systematic Name

  • 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-4-phenyl-, ethyl ester

Registry Numbers

CAS Registry Number

  • 87896-35-3

System Generated Number

  • 0087896353

Structure Descriptors

InChI

1S/C18H20N2O2/c1-2-22-18(21)17-12-16(13-8-4-3-5-9-13)19-14-10-6-7-11-15(14)20-17/h3-11,16-17,19-20H,2,12H2,1H3

InChIKey

OPNRSRUBCMQEJA-UHFFFAOYSA-N

Smiles

c1([C@@H]2Nc3c(cccc3)N[C@@H](C2)C(OCC)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1146mg/kg (1146mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 35, Pg. 89, 1983.
mouse LD50 oral > 3gm/kg (3000mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 35, Pg. 89, 1983.