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Substance Name: 1H-Pyrazolo(3,4-b)(1,4)benzoxazepine, 4,5-dihydro-1,3-dimethyl-4-(2-propynyl)-
RN: 22086-98-2
InChIKey: JPUQJRMLONBSTN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-N3-O

Molecular Weight

  • 253.303
 
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Names and Synonyms

Synonyms

  • 4,5-Dihydro-1,3-dimethyl-4-(2-propynyl)-1H-pyrazolo(3,4-b)(1,4)benzoxazepine
  • BRN 0544179

Systematic Name

  • 1H-Pyrazolo(3,4-b)(1,4)benzoxazepine, 4,5-dihydro-1,3-dimethyl-4-(2-propynyl)-

Registry Numbers

CAS Registry Number

  • 22086-98-2

System Generated Number

  • 0022086982

Structure Descriptors

InChI

1S/C15H15N3O/c1-4-9-18-10-12-7-5-6-8-13(12)19-15-14(18)11(2)16-17(15)3/h1,5-8H,9-10H2,2-3H3

InChIKey

JPUQJRMLONBSTN-UHFFFAOYSA-N

Smiles

O1c2c(N(Cc3c1cccc3)CC#C)c(nn2C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 980mg/kg (980mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 15, Pg. 42, 1972.