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Substance Name: Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(ethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride, (S)-
RN: 192204-98-1
InChIKey: AEPBOUHKRSABGU-VZYDHVRKSA-N

Molecular Formula

  • C22-H31-N-O3.Cl-H

Molecular Weight

  • 393.9518
 
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Names and Synonyms

Synonym

  • (S)-RCC-36

Systematic Name

  • Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(ethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride, (S)-

Registry Numbers

CAS Registry Number

  • 192204-98-1

System Generated Number

  • 0192204981

Molecular Formulas

Molecular Formula

  • C22-H31-N-O3.Cl-H

Molecular Formula Fragments

  • C22-H31-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H31NO3.ClH/c1-4-23-17-11-16-21(2,3)26-20(24)22(25,18-12-7-5-8-13-18)19-14-9-6-10-15-19;/h5,7-8,12-13,19,23,25H,4,6,9-10,14-15,17H2,1-3H3;1H/t22-;/m1./s1

InChIKey

AEPBOUHKRSABGU-VZYDHVRKSA-N

Smiles

CCNCC#CC(C)(C)OC(=O)[C@@](c1ccccc1)(C2CCCCC2)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 93mg/kg (93mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ATAXIA

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Toxicological Sciences. Vol. 22(Suppl,