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Substance Name: 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-chloro-1-((3-trifluoromethyl)phenyl)-, (S)-
RN: 106106-76-7
InChIKey: LTOOZZKQCYICST-INIZCTEOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H15-Cl-F3-N3-O

Molecular Weight

  • 417.8165
 
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Names and Synonyms

  • 9H-Imidazo(1,5-a)pyrrolo(2,1-c)(1,4)benzodiazepin-9-one, 11,12,13,13a-tetrahydro-8-chloro-1-((3-trifluoromethyl)phenyl)-, (S)-

Registry Numbers

CAS Registry Number

  • 106106-76-7

System Generated Number

  • 0106106767

Structure Descriptors

InChI

1S/C21H15ClF3N3O/c22-14-6-2-7-15-17(14)20(29)27-9-3-8-16(27)19-18(26-11-28(15)19)12-4-1-5-13(10-12)21(23,24)25/h1-2,4-7,10-11,16H,3,8-9H2/t16-/m0/s1

InChIKey

LTOOZZKQCYICST-INIZCTEOSA-N

Smiles

c1cc(cc(c1)C(F)(F)F)c2c3n(cn2)-c4cccc(c4C(=O)N5[C@H]3CCC5)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   United States Patent Document. Vol. #4616010,