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Substance Name: 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-
RN: 102612-78-2
InChIKey: WEFSKSMUNSBUFU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N-O4

Molecular Weight

  • 321.4143
 
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Names and Synonyms

Synonym

  • 3-(4-Allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-1,3-propanediol

Systematic Name

  • 1,3-Propanediol, 3-(4-allyl-2-methoxy-6-(1-pyrrolidinylmethyl)phenoxy)-

Registry Numbers

CAS Registry Number

  • 102612-78-2

System Generated Number

  • 0102612782

Structure Descriptors

InChI

1S/C18H27NO4/c1-3-6-14-11-15(13-19-8-4-5-9-19)18(16(12-14)22-2)23-17(21)7-10-20/h3,11-12,17,20-21H,1,4-10,13H2,2H3

InChIKey

WEFSKSMUNSBUFU-UHFFFAOYSA-N

Smiles

C(C[C@@H](O)Oc1c(cc(cc1CN1CCCC1)CC=C)OC)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 129mg/kg (129mg/kg) BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Farmaco, Edizione Scientifica. Vol. 19, Pg. 324, 1964.