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Substance Name: 1H-Naphtho(2,1-b)pyran-1-one, 2-((1-hydroxy-3-oxo-3H-naphtho(2,1-b)pyran-2-yl)methyl)-3-(1-pyrrolidinyl)-
RN: 52053-88-0
InChIKey: XKJWMYWYNOEGAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H23-N-O5

Molecular Weight

  • 489.5247
 
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Names and Synonyms

Synonyms

  • 5-20-01-00502 (Beilstein Handbook Reference)
  • BRN 1413957
  • K 8153

Systematic Name

  • 1H-Naphtho(2,1-b)pyran-1-one, 2-((1-hydroxy-3-oxo-3H-naphtho(2,1-b)pyran-2-yl)methyl)-3-(1-pyrrolidinyl)-

Registry Numbers

CAS Registry Number

  • 52053-88-0

System Generated Number

  • 0052053880

Structure Descriptors

InChI

1S/C31H23NO5/c33-28-22(17-23-29(34)27-21-10-4-2-8-19(21)12-14-25(27)37-31(23)35)30(32-15-5-6-16-32)36-24-13-11-18-7-1-3-9-20(18)26(24)28/h1-4,7-14,34H,5-6,15-17H2

InChIKey

XKJWMYWYNOEGAF-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)ccc3c2c(=O)c(c(o3)N4CCCC4)Cc5c(c6c7ccccc7ccc6oc5=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   Farmaco, Edizione Scientifica. Vol. 29, Pg. 237, 1974.