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Substance Name: 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-7,11-dimethoxy-8-(phenylmethoxy)-
RN: 116564-79-5
InChIKey: JQAVIEKARQOLKU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N2-O4

Molecular Weight

  • 368.431
 
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Names and Synonyms

  • 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 1,2,3,10,11,11a-hexahydro-7,11-dimethoxy-8-(phenylmethoxy)-

Registry Numbers

CAS Registry Number

  • 116564-79-5

System Generated Number

  • 0116564795

Structure Descriptors

InChI

1S/C21H24N2O4/c1-25-18-11-15-16(12-19(18)27-13-14-7-4-3-5-8-14)22-20(26-2)17-9-6-10-23(17)21(15)24/h3-5,7-8,11-12,17,20,22H,6,9-10,13H2,1-2H3

InChIKey

JQAVIEKARQOLKU-UHFFFAOYSA-N

Smiles

N1[C@@H]([C@@H]2N(C(c3c1cc(c(c3)OC)OCc1ccccc1)=O)CCC2)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 35mg/kg (35mg/kg)   Chemical Research in Toxicology. Vol. 1, Pg. 258, 1988.