Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Org 9616
RN: 119302-18-0
InChIKey: ZFJFKPJKLLLVSR-HELRLQSOSA-M

Molecular Formula

  • C36-H61-N2-O4.Br

Molecular Weight

  • 665.7919
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Org 9616

Synonyms

  • 1-(3-Acetyloxy-17-(1-oxobutoxy)-2-(1-piperidinyl)-androstan-16-yl)-1-methylpiperidinium
  • Org-9616

Systematic Name

  • Piperidinium, 1-((2beta,3alpha,5alpha,16beta,17alpha)-3-(acetyloxy)-17-(1-oxobutoxy)-2-(1-piperidinyl)androstan-16-yl)-1-methyl-, bromide

Registry Numbers

CAS Registry Number

  • 119302-18-0

System Generated Number

  • 0119302180

Molecular Formulas

Molecular Formula

  • C36-H61-N2-O4.Br

Molecular Formula Fragments

  • Br
  • C36-H61-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C36H61N2O4.BrH/c1-6-13-33(40)42-34-31(38(5)20-11-8-12-21-38)23-29-27-15-14-26-22-32(41-25(2)39)30(37-18-9-7-10-19-37)24-36(26,4)28(27)16-17-35(29,34)3;/h26-32,34H,6-24H2,1-5H3;1H/q+1;/p-1/t26-,27+,28-,29-,30-,31-,32-,34+,35-,36-;/m0./s1

InChIKey

ZFJFKPJKLLLVSR-HELRLQSOSA-M

Smiles

CCCC(=O)O[C@@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)OC(=O)C)N5CCCCC5)C)C)[N+]6(CCCCC6)C.[Br-]