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Substance Name: (Bicyclohexyl)-delta(sup 4,alpha)-acetic acid, 4'-hydroxy-, 2-(dimethylamino)ethyl ester, phosphate (1:1) (salt), (+-)-
RN: 16700-28-0
InChIKey: FEDKNTROKHLXLS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H31-N-O3.H3-O4-P

Molecular Weight

  • 407.441
 
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Names and Synonyms

Synonym

  • 2-Dimethylaminoethyl 4-(4-hydroxycyclohexyl)-delta(sup 1,alpha)-cyclohexaneacetate phosphate

Systematic Name

  • (Bicyclohexyl)-delta(sup 4,alpha)-acetic acid, 4'-hydroxy-, 2-(dimethylamino)ethyl ester, phosphate (1:1) (salt), (+-)-

Registry Numbers

CAS Registry Number

  • 16700-28-0

System Generated Number

  • 0016700280

Molecular Formulas

Molecular Formula

  • C18-H31-N-O3.H3-O4-P

Molecular Formula Fragments

  • C18-H31-N-O3
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C18H31NO3.H3O4P/c1-19(2)12-13-22-17(21)14-18(10-4-3-5-11-18)15-6-8-16(20)9-7-15;1-5(2,3)4/h4,10,15-16,20H,3,5-9,11-14H2,1-2H3;(H3,1,2,3,4)

InChIKey

FEDKNTROKHLXLS-UHFFFAOYSA-N

Smiles

C1[C@@](C2CCC(CC2)O)(CC(=O)OCCN(C)C)C=CCC1.P(=O)(O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 2mg/kg (2mg/kg) CARDIAC: OTHER CHANGES Journal of Medicinal Chemistry. Vol. 10, Pg. 593, 1967.