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Substance Name: 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-
RN: 154186-65-9
InChIKey: ALQJCWHPEUIFBY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H23-N3-O4

Molecular Weight

  • 417.4627
 
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Names and Synonyms

  • 2H-1-Benzopyran-6-carbonitrile, 3,4-dihydro-2,2-dimethyl-3-hydroxy-4-((5-oxo-4-(phenylmethyl)-3,4-diazabicyclo(4.1.0)hept-2-en-2-yl)oxy)-

Registry Numbers

CAS Registry Number

  • 154186-65-9

System Generated Number

  • 0154186659

Structure Descriptors

InChI

1S/C24H23N3O4/c1-24(2)21(28)20(18-10-15(12-25)8-9-19(18)31-24)30-22-16-11-17(16)23(29)27(26-22)13-14-6-4-3-5-7-14/h3-10,16-17,20-21,28H,11,13H2,1-2H3

InChIKey

ALQJCWHPEUIFBY-UHFFFAOYSA-N

Smiles

CC1(C(C(c2cc(ccc2O1)C#N)OC3=NN(C(=O)C4C3C4)Cc5ccccc5)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #5418232,