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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-(hexylamino)-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)
RN: 14769-03-0
InChIKey: BXNROVYWPQUAQT-YDBSYXHISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N4-O5

Molecular Weight

  • 418.491
 
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Names and Synonyms

Synonym

  • BRN 1185756

Systematic Names

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 1,1a,2,8,8a,8b-hexahydro-6-(hexylamino)-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)
  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-4,7-dione, 8-(((aminocarbonyl)oxy)methyl)-6-(hexylamino)-1,1a,2,8,8a,8b-hexahydro-8a-methoxy-5-methyl-, (1aS-(1aalpha,8beta,8aalpha,8balpha))-

Registry Numbers

CAS Registry Number

  • 14769-03-0

Other Registry Number

  • 20082-58-0

System Generated Number

  • 0014769030

Structure Descriptors

InChI

1S/C21H30N4O5/c1-4-5-6-7-8-23-15-11(2)17(26)16-14(18(15)27)12(10-30-20(22)28)21(29-3)19-13(24-19)9-25(16)21/h12-13,19,23-24H,4-10H2,1-3H3,(H2,22,28)/t12-,13+,19+,21-/m1/s1

InChIKey

BXNROVYWPQUAQT-YDBSYXHISA-N

Smiles

CCCCCCNC1=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 37500ug/kg (37.5mg/kg)   Journal of Antibiotics, Series A. Vol. 20, Pg. 72, 1967.