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Substance Name: Piperidinium, 1-(2-beta,17-beta-dihydroxy-5-alpha-androstan-3-alpha-yl)-1-methyl-, hydroxide, diacetate
RN: 14668-11-2
InChIKey: FPLRJDDXOOASND-IZSYVXBHSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H48-N-O4.H-O

Molecular Weight

  • 491.708
 
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Names and Synonyms

Synonym

  • 2-beta,17-beta-Diacetoxy-3-alpha-piperidino-5-alpha-androstane methohydroxide

Systematic Name

  • Piperidinium, 1-(2-beta,17-beta-dihydroxy-5-alpha-androstan-3-alpha-yl)-1-methyl-, hydroxide, diacetate

Registry Numbers

CAS Registry Number

  • 14668-11-2

System Generated Number

  • 0014668112

Molecular Formulas

Molecular Formula

  • C29-H48-N-O4.H-O

Molecular Formula Fragments

  • C29-H48-N-O4
  • COMPONENT
  • H-O

Structure Descriptors

InChI

1S/C29H48NO4.H2O/c1-19(31)33-26-18-29(4)21(17-25(26)30(5)15-7-6-8-16-30)9-10-22-23-11-12-27(34-20(2)32)28(23,3)14-13-24(22)29;/h21-27H,6-18H2,1-5H3;1H2/q+1;/p-1/t21-,22?,23?,24?,25-,26-,27-,28-,29-;/m0./s1

InChIKey

FPLRJDDXOOASND-IZSYVXBHSA-M

Smiles

[N+]1(CCCCC1)(C)[C@@H]1[C@H](C[C@@]2([C@@H]3CC[C@@]4([C@H](CC[C@@H]4[C@@H]3CC[C@@H]2C1)OC(=O)C)C)C)OC(=O)C.[OH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 79mg/kg (79mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 19, Pg. 502, 1967.