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Substance Name: Azirino(2',3':3,4)pyrrolo(1,2-a)indole-1(2H)-carboxylic acid, 1a,4,7,8,8a,8b-hexahydro-6-amino-4,7-dioxo-8-(hydroxymethyl)-8a-methoxy-5-methyl-, ethyl ester, carbamate (ester)
RN: 4049-28-9
InChIKey: OOVOKOKGEDWERS-YNOAKCNOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-N4-O7

Molecular Weight

  • 406.3928
 
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Names and Synonyms

Synonym

  • BRN 0865522

Systematic Name

  • Azirino(2',3':3,4)pyrrolo(1,2-a)indole-1(2H)-carboxylic acid, 1a,4,7,8,8a,8b-hexahydro-6-amino-4,7-dioxo-8-(hydroxymethyl)-8a-methoxy-5-methyl-, ethyl ester, carbamate (ester)

Registry Numbers

CAS Registry Number

  • 4049-28-9

System Generated Number

  • 0004049289

Structure Descriptors

InChI

1S/C18H22N4O7/c1-4-28-17(26)22-9-5-21-12-10(14(24)11(19)7(2)13(12)23)8(6-29-16(20)25)18(21,27-3)15(9)22/h8-9,15H,4-6,19H2,1-3H3,(H2,20,25)/t8-,9+,15+,18-,22?/m1/s1

InChIKey

OOVOKOKGEDWERS-YNOAKCNOSA-N

Smiles

CCOC(=O)N1[C@H]2CN3C4=C([C@@H](COC(=O)N)[C@@]3(OC)[C@@H]12)C(=O)C(=C(C)C4=O)N

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.