skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

برمید  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C34H57BrN2O4
  • C34H57N2O4.Br

has_functional_parent

inchi

  • InChI=1S/C34H57N2O4.BrH/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36;/h25-32H,6-22H2,1-5H3;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1

inchikey

  • VEPSYABRBFXYIB-PWXDFCLTSA-M

mass

  • 637.73100

monoisotopicmass

  • 636.35017

smiles

  • [Br-].[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@H](C[C@@]34[H])[N+]3(C)CCCCC3)[C@@]1(C)C[C@@H]([C@H](C2)OC(C)=O)N1CCCCC1

subset

  • 3_STAR

synonym EXACT

  • (2beta,3alpha,5alpha,16beta,17beta)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane bromide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:9940

Download this concept: