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Substance Name: 6-Oxabicyclo(3.1.0)hex-3-ene-2-methanol, 2-hydroxy-4-isocyano-alpha-methyl-, (1-alpha,2-beta,2(R*),5-alpha)-(-)-
RN: 83058-95-1
InChIKey: ORZXXRGEVDJEIX-XVFCMESISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H9-N-O3

Molecular Weight

  • 167.1631
 
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Names and Synonyms

Synonym

  • Isonitrin B

Systematic Name

  • 6-Oxabicyclo(3.1.0)hex-3-ene-2-methanol, 2-hydroxy-4-isocyano-alpha-methyl-, (1-alpha,2-beta,2(R*),5-alpha)-(-)-

Registry Numbers

CAS Registry Number

  • 83058-95-1

System Generated Number

  • 0083058951

Structure Descriptors

InChI

1S/C8H9NO3/c1-4(10)8(11)3-5(9-2)6-7(8)12-6/h3-4,6-7,10-11H,1H3/t4-,6-,7-,8-/m1/s1

InChIKey

ORZXXRGEVDJEIX-XVFCMESISA-N

Smiles

C[C@H]([C@@]1(C=C([C@@H]2[C@H]1O2)[N+]#[C-])O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Agricultural and Biological Chemistry. Vol. 46, Pg. 1803, 1982.