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Substance Name: Benzenemethanol, 4-((1-methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)-
RN: 54790-00-0
InChIKey: BPFVUFSYVZMJLU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-N-O-S

Molecular Weight

  • 343.5321
 
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Names and Synonyms

Synonym

  • 4-((1-Methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)benzenemethanol

Systematic Name

  • Benzenemethanol, 4-((1-methylethyl)thio)-alpha-(1-((1-methyl-2-phenylethyl)amino)ethyl)-

Registry Numbers

CAS Registry Number

  • 54790-00-0

System Generated Number

  • 0054790000

Structure Descriptors

InChI

1S/C21H29NOS/c1-15(2)24-20-12-10-19(11-13-20)21(23)17(4)22-16(3)14-18-8-6-5-7-9-18/h5-13,15-17,21-23H,14H2,1-4H3

InChIKey

BPFVUFSYVZMJLU-UHFFFAOYSA-N

Smiles

CC(C)Sc1ccc(cc1)C(C(C)NC(C)Cc2ccccc2)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2100mg/kg (2100mg/kg)   United States Patent Document. Vol. #4891371,