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Substance Name: 2,3-Butanediol, 2-(p-chlorophenyl)-3-methyl- mixed with 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethylpiperazinium sulfate (4:1)
RN: 76485-09-1
InChIKey: PQNDIZBCHMMKKR-UHFFFAOYSA-M

Molecular Weight

  • 627.2819
 
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Names and Synonyms

  • 2,3-Butanediol, 2-(p-chlorophenyl)-3-methyl- mixed with 4-(beta-cyclohexyl-beta-hydroxyphenethyl)-1,1-dimethylpiperazinium sulfate (4:1)

Registry Numbers

CAS Registry Number

  • 76485-09-1

System Generated Number

  • 0076485091

Structure Descriptors

InChI

1S/C20H33N2O.C11H15ClO2.CH4O3S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-10(2,13)11(3,14)8-4-6-9(12)7-5-8;1-5(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;4-7,13-14H,1-3H3;1H3,(H,2,3,4)/q+1;;/p-1

InChIKey

PQNDIZBCHMMKKR-UHFFFAOYSA-M

Smiles

CC(C)(C(C)(c1ccc(cc1)Cl)O)O.C[N+]1(CCN(CC1)CC(c2ccccc2)(C3CCCCC3)O)C.CS(=O)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 610mg/kg (610mg/kg)   Farmaco, Edizione Pratica. Vol. 35, Pg. 564, 1980.