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Substance Name: 4H-(1)Benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,7,8,9,10-hexahydro-4-(4-methoxyphenyl)-
RN: 137052-81-4
InChIKey: YBWUFNOXFGTPPO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N2-O-S

Molecular Weight

  • 350.4838
 
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Names and Synonyms

  • 4H-(1)Benzothieno(3,2-f)pyrrolo(1,2-a)(1,4)diazepine, 5,6,7,8,9,10-hexahydro-4-(4-methoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 137052-81-4

System Generated Number

  • 0137052814

Structure Descriptors

InChI

1S/C21H22N2OS/c1-24-15-10-8-14(9-11-15)20-18-6-4-12-23(18)21-17(13-22-20)16-5-2-3-7-19(16)25-21/h4,6,8-12,20,22H,2-3,5,7,13H2,1H3

InChIKey

YBWUFNOXFGTPPO-UHFFFAOYSA-N

Smiles

COc1ccc(cc1)C2c3cccn3-c4c(c5c(s4)CCCC5)CN2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Pharmazie. Vol. 50, Pg. 27, 1995.
mouse LD50 oral > 2gm/kg (2000mg/kg)   Pharmazie. Vol. 50, Pg. 27, 1995.