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Substance Name: Piperidinium, 1,1'-((2-beta,3-alpha,5-alpha,16-beta,17-beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl-, dibromide
RN: 50588-13-1
InChIKey: JDAZNDCQLWXRFM-YTGGZNJNSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C35-H60-N2-O4.2Br

Molecular Weight

  • 732.677
 
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Names and Synonyms

  • Piperidinium, 1,1'-((2-beta,3-alpha,5-alpha,16-beta,17-beta)-3,17-bis(acetyloxy)androstane-2,16-diyl)bis(1-methyl-, dibromide

Registry Numbers

CAS Registry Number

  • 50588-13-1

System Generated Number

  • 0050588131

Molecular Formulas

Molecular Formula

  • C35-H60-N2-O4.2Br

Molecular Formula Fragments

  • Br
  • C35-H60-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C35H60N2O4.2BrH/c1-24(38)40-31-21-26-13-14-27-28(35(26,4)23-30(31)36(5)17-9-7-10-18-36)15-16-34(3)29(27)22-32(41-25(2)39)33(34)37(6)19-11-8-12-20-37;;/h26-33H,7-23H2,1-6H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1

InChIKey

JDAZNDCQLWXRFM-YTGGZNJNSA-L

Smiles

CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1[N+]4(CCCCC4)C)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5[N+]6(CCCCC6)C)OC(=O)C)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 116ug/kg (0.116mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
mouse LD50 intravenous 36ug/kg (0.036mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
mouse LD50 oral 21200ug/kg (21.2mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
mouse LD50 subcutaneous 168ug/kg (0.168mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
rat LD50 intraperitoneal 479ug/kg (0.479mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
rat LD50 intravenous 129ug/kg (0.129mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
rat LD50 oral 202mg/kg (202mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.
rat LD50 subcutaneous 436ug/kg (0.436mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 4, Pg. 90, 1973.