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Substance Name: Valerophenone, 5-(4-amino-2-methoxyphenoxy)-, diethyl acetal
RN: 15382-91-9
InChIKey: KAKMOXRQOSVRCW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H31-N-O4

Molecular Weight

  • 387.4731
 
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Names and Synonyms

Synonyms

  • 5-(4-Amino-2-methoxyphenoxy)valerophenone diethyl acetal
  • BRN 2822654
  • M & B 5378

Systematic Name

  • Valerophenone, 5-(4-amino-2-methoxyphenoxy)-, diethyl acetal

Registry Numbers

CAS Registry Number

  • 15382-91-9

System Generated Number

  • 0015382919

Structure Descriptors

InChI

1S/C22H29NO5/c1-4-21(5-2,22(25,26)20(24)16-9-7-6-8-10-16)13-14-28-18-12-11-17(23)15-19(18)27-3/h6-12,15,25-26H,4-5,13-14,23H2,1-3H3

InChIKey

KAKMOXRQOSVRCW-UHFFFAOYSA-N

Smiles

CCC(CC)(CCOc1ccc(cc1OC)N)C(C(=O)c2ccccc2)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 29, Pg. 248, 1967.