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Substance Name: 1H-Azepine-1-sulfonamide, hexahydro-N-(((8-beta)-9,10-didehydro-6-methylergolin-8-yl)methyl)-
RN: 67658-61-1
InChIKey: DUCNRRSGMWRTJH-HRAATJIYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N4-O2-S

Molecular Weight

  • 414.571
 
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Names and Synonyms

Synonyms

  • 1-(1H-Hexahydroazepine)-3-(6-methyl-8-beta-didehydroergolenylmethyl)sulfonamide
  • Hexahydro-N-(((8-beta)-9,10-didehydro-6-methylergolin-8-yl)methyl)-1H-azepine-1-sulfonamide

Systematic Name

  • 1H-Azepine-1-sulfonamide, hexahydro-N-(((8-beta)-9,10-didehydro-6-methylergolin-8-yl)methyl)-

Registry Numbers

CAS Registry Number

  • 67658-61-1

System Generated Number

  • 0067658611

Structure Descriptors

InChI

1S/C22H30N4O2S/c1-25-15-16(13-24-29(27,28)26-9-4-2-3-5-10-26)11-19-18-7-6-8-20-22(18)17(14-23-20)12-21(19)25/h6-8,11,14,16,21,23-24H,2-5,9-10,12-13,15H2,1H3/t16-,21+/m0/s1

InChIKey

DUCNRRSGMWRTJH-HRAATJIYSA-N

Smiles

CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)CNS(=O)(=O)N5CCCCCC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50200ug/kg (50.2mg/kg)   United States Patent Document. Vol. #4176182,