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Substance Name: Isonitrin A
RN: 83016-48-2
InChIKey: QKQBXLBJVMDJNP-OETYCNMMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H7-N-O2

Molecular Weight

  • 149.1483
 
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Names and Synonyms

Results Name

  • Isonitrin A

Synonym

  • Isonitrin A

Systematic Name

  • Spiro(6-oxabicyclo(3.1.0)hex-3-ene-2,2'-oxirane), 4-isocyano-3'-methyl-, (1-alpha,2-beta(S*),(5-alpha)-(+)-

Registry Numbers

CAS Registry Number

  • 83016-48-2

System Generated Number

  • 0083016482

Structure Descriptors

InChI

1S/C8H7NO2/c1-4-8(11-4)3-5(9-2)6-7(8)10-6/h3-4,6-7H,1H3/t4?,6?,7-,8?/m1/s1

InChIKey

QKQBXLBJVMDJNP-OETYCNMMSA-N

Smiles

CC1C2(O1)C=C(C3[C@H]2O3)[N+]#[C-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 160mg/kg (160mg/kg)   Agricultural and Biological Chemistry. Vol. 46, Pg. 1803, 1982.