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Substance Name: 5H-Pyrrolo(2,1-c)(1,4)benzodiazepin-5-one, 3,10,11,11a-tetrahydro-7,8-dimethoxy-11-methylthio)-
RN: 116564-78-4
InChIKey: IEVRMJPGCYEQSC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H18-N2-O3-S

Molecular Weight

  • 306.384
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 116564-78-4

System Generated Number

  • 0116564784

Structure Descriptors

InChI

1S/C15H18N2O3S/c1-19-12-7-9-10(8-13(12)20-2)16-14(21-3)11-5-4-6-17(11)15(9)18/h4-5,7-8,11,14,16H,6H2,1-3H3

InChIKey

IEVRMJPGCYEQSC-UHFFFAOYSA-N

Smiles

N1[C@@H]([C@@H]2N(C(c3c1cc(c(c3)OC)OC)=O)CC=C2)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 71mg/kg (71mg/kg)   Chemical Research in Toxicology. Vol. 1, Pg. 258, 1988.