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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-amino-1-heptanoyl-8-(hydroxymethyl)-8a-methoxy-5-methyl-, carbamate (ester)
RN: 4049-07-4
InChIKey: OIJWFCIGHJVONB-BNPYZAKFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H30-N4-O6

Molecular Weight

  • 446.501
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 4049-07-4

System Generated Number

  • 0004049074

Structure Descriptors

InChI

1S/C22H30N4O6/c1-4-5-6-7-8-14(27)26-13-9-25-17-15(19(29)16(23)11(2)18(17)28)12(10-32-21(24)30)22(25,31-3)20(13)26/h12-13,20H,4-10,23H2,1-3H3,(H2,24,30)/t12-,13?,20?,22-,26?/m1/s1

InChIKey

OIJWFCIGHJVONB-BNPYZAKFSA-N

Smiles

N12[C@@]([C@@H]3[C@@H](N3C(CCCCCC)=O)C2)([C@@H](C=2C(C(N)=C(C(C12)=O)C)=O)COC(N)=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18750ug/kg (18.75mg/kg)   Journal of Antibiotics, Series A. Vol. 20, Pg. 72, 1967.