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Substance Name: 1,3-Propanediol, 3-(4-allyl-2-((isopropylamino)methyl)-6-methoxyphenoxy)-
RN: 102612-76-0
InChIKey: XRIXABGUVFAYJA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H27-N-O4

Molecular Weight

  • 309.4033
 
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Names and Synonyms

Synonym

  • 3-(4-Allyl-2-((isopropylamino)methyl)-6-methoxyphenoxy)-1,3-propanediol

Systematic Name

  • 1,3-Propanediol, 3-(4-allyl-2-((isopropylamino)methyl)-6-methoxyphenoxy)-

Registry Numbers

CAS Registry Number

  • 102612-76-0

System Generated Number

  • 0102612760

Structure Descriptors

InChI

1S/C17H27NO4/c1-5-6-13-9-14(11-18-12(2)3)17(15(10-13)21-4)22-16(20)7-8-19/h5,9-10,12,16,18-20H,1,6-8,11H2,2-4H3

InChIKey

XRIXABGUVFAYJA-UHFFFAOYSA-N

Smiles

C(C[C@@H](O)Oc1c(cc(cc1OC)CC=C)CNC(C)C)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 84mg/kg (84mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

VASCULAR: SHOCK

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Farmaco, Edizione Scientifica. Vol. 19, Pg. 324, 1964.