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Substance Name: Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester)
RN: 67329-00-4
InChIKey: KQOZTRCRNURWBC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H39-N-O6

Molecular Weight

  • 473.6061
 
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Names and Synonyms

  • Phenethylamine, alpha,alpha-dimethyl-N-ethyl-N-(4-hydroxybutyl)-4-methoxy-, 3,4,5-trimethoxybenzoate (ester)

Registry Numbers

CAS Registry Number

  • 67329-00-4

System Generated Number

  • 0067329004

Structure Descriptors

InChI

1S/C27H39NO6/c1-8-28(27(2,3)19-20-13-9-10-14-22(20)30-4)15-11-12-16-34-26(29)21-17-23(31-5)25(33-7)24(18-21)32-6/h9-10,13-14,17-18H,8,11-12,15-16,19H2,1-7H3

InChIKey

KQOZTRCRNURWBC-UHFFFAOYSA-N

Smiles

CCN(CCCCOC(=O)c1cc(c(c(c1)OC)OC)OC)C(C)(C)Cc2ccccc2OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 97, 1963.