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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-8-(hydroxymethyl)-8a-methoxy-5-methyl-6-(pentylamino)-, carbamate (ester)
RN: 14769-02-9
InChIKey: XQRNPXLHNAGHEJ-PTTPRXRQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N4-O5

Molecular Weight

  • 404.4642
 
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Names and Synonyms

Synonym

  • BRN 1184806

Systematic Name

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-8-(hydroxymethyl)-8a-methoxy-5-methyl-6-(pentylamino)-, carbamate (ester)

Registry Numbers

CAS Registry Number

  • 14769-02-9

Other Registry Numbers

  • 16032-91-0
  • 16908-64-8

System Generated Number

  • 0014769029

Structure Descriptors

InChI

1S/C20H28N4O5/c1-4-5-6-7-22-14-10(2)16(25)15-13(17(14)26)11(9-29-19(21)27)20(28-3)18-12(23-18)8-24(15)20/h11-12,18,22-23H,4-9H2,1-3H3,(H2,21,27)/t11-,12+,18+,20-/m1/s1

InChIKey

XQRNPXLHNAGHEJ-PTTPRXRQSA-N

Smiles

CCCCCNC1=C(C)C(=O)C2=C([C@@H](COC(=O)N)[C@@]3(OC)[C@H]4N[C@H]4CN23)C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18450ug/kg (18.45mg/kg)   Journal of Antibiotics, Series A. Vol. 20, Pg. 72, 1967.