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Substance Name: Org 7617
RN: 120592-89-4
InChIKey: ZJTBGJDGVYKEHQ-NKRSKPSUSA-M

Molecular Formula

  • C38-H63-N2-O4.Br

Molecular Weight

  • 691.83
 
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Names and Synonyms

Name of Substance

  • Org 7617

Synonyms

  • 1-(3-Acetyloxy-17-(1-oxobutoxy)-2-(1-piperdinyl)androstan-16-yl)-1-(2-propenyl)piperidine
  • Org-7617

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 120592-89-4

System Generated Number

  • 0120592894

Molecular Formulas

Molecular Formula

  • C38-H63-N2-O4.Br

Molecular Formula Fragments

  • Br
  • C38-H63-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C38H63N2O4.BrH/c1-6-14-35(42)44-36-33(40(21-7-2)22-12-9-13-23-40)25-31-29-16-15-28-24-34(43-27(3)41)32(39-19-10-8-11-20-39)26-38(28,5)30(29)17-18-37(31,36)4;/h7,28-34,36H,2,6,8-26H2,1,3-5H3;1H/q+1;/p-1/t28-,29?,30?,31?,32-,33-,34-,36-,37-,38-;/m0./s1

InChIKey

ZJTBGJDGVYKEHQ-NKRSKPSUSA-M

Smiles

[N+]1(CCCCC1)(CC=C)[C@H]1C[C@@H]2[C@@H]3CC[C@H]4C[C@@H]([C@H](C[C@@]4([C@@H]3CC[C@@]2([C@H]1OC(CCC)=O)C)C)N1CCCCC1)OC(=O)C.[BrH-]