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Substance Name: 6H-Dibenz(b,f)oxiren(d)azepine-6-carboxylic acid, 1a,10b-dihydro-, 2-(methylsulfonyl)ethyl ester
RN: 66849-47-6
InChIKey: IIVKRDWQZBPFIP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N-O5-S

Molecular Weight

  • 359.4003
 
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Names and Synonyms

Synonym

  • 1a,10b-Dihydro-6H-dibenz(b,f)oxiren(d)azepin-6-carboxylic acid 2-(methylsulfonyl)ethyl ester

Systematic Name

  • 6H-Dibenz(b,f)oxiren(d)azepine-6-carboxylic acid, 1a,10b-dihydro-, 2-(methylsulfonyl)ethyl ester

Registry Numbers

CAS Registry Number

  • 66849-47-6

System Generated Number

  • 0066849476

Structure Descriptors

InChI

1S/C18H17NO5S/c1-25(21,22)11-10-23-18(20)19-14-8-4-2-6-12(14)16-17(24-16)13-7-3-5-9-15(13)19/h2-9,16-17H,10-11H2,1H3

InChIKey

IIVKRDWQZBPFIP-UHFFFAOYSA-N

Smiles

CS(=O)(=O)CCOC(=O)N1c2ccccc2C3C(O3)c4c1cccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 200mg/kg (200mg/kg)   Takeda Kenkyusho Ho. Journal of the Takeda Research Laboratories. Vol. 37, Pg. 12, 1978.