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Substance Name: 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin
RN: 109736-10-9
UNII: NZL2UVQ1H6
InChIKey: LUOIYABVQOJGON-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C29-H31-N-O5

Molecular Weight

  • 473.5659
 
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Names and Synonyms

Name of Substance

  • 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenylcoumarin

Synonyms

  • 4-(4-(3-(Butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenyl-2H-1-benzopyran-2-one
  • Coumarin, 4-(4-(3-(butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenyl-
  • UNII-NZL2UVQ1H6

Systematic Name

  • 2H-1-Benzopyran-2-one, 4-(4-(3-(butylamino)-2-hydroxypropoxy)phenyl)-7-methoxy-3-phenyl-

Registry Numbers

CAS Registry Number

  • 109736-10-9

FDA UNII

  • NZL2UVQ1H6

System Generated Number

  • 0109736109

Structure Descriptors

InChI

1S/C29H31NO5/c1-3-4-16-30-18-22(31)19-34-23-12-10-21(11-13-23)27-25-15-14-24(33-2)17-26(25)35-29(32)28(27)20-8-6-5-7-9-20/h5-15,17,22,30-31H,3-4,16,18-19H2,1-2H3

InChIKey

LUOIYABVQOJGON-UHFFFAOYSA-N

Smiles

CCCCNCC(COc1ccc(cc1)c2c3ccc(cc3oc(=O)c2c4ccccc4)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 49, Pg. 43, 1987.
rat LD50 oral 500mg/kg (500mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 49, Pg. 43, 1987.