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Substance Name: Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-anilino-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate
RN: 17269-55-5
InChIKey: CELXHJMMZBGNAT-IMJKXDMASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-N4-O5

Molecular Weight

  • 410.4278
 
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Names and Synonyms

Synonym

  • BRN 0592707

Systematic Name

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-anilino-1,5-dimethyl-8a-hydroxy-8-(hydroxymethyl)-, 8-carbamate

Registry Numbers

CAS Registry Number

  • 17269-55-5

System Generated Number

  • 0017269555

Structure Descriptors

InChI

1S/C21H22N4O5/c1-10-15(23-11-6-4-3-5-7-11)18(27)14-12(9-30-20(22)28)21(29)19-13(24(19)2)8-25(21)16(14)17(10)26/h3-7,12-13,19,23,29H,8-9H2,1-2H3,(H2,22,28)/t12-,13-,19-,21+,24?/m0/s1

InChIKey

CELXHJMMZBGNAT-IMJKXDMASA-N

Smiles

CN1[C@H]2CN3C4=C([C@H](COC(=O)N)[C@@]3(O)[C@@H]12)C(=O)C(=C(C)C4=O)Nc5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 6mg/kg (6mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 103, 1971.