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Substance Name: MJ 13980-1
RN: 85581-65-3
InChIKey: KYQWKVHYBNLXGX-UHFFFAOYSA-N

Molecular Formula

  • C21-H27-N5-O2-S.Cl-H

Molecular Weight

  • 450.004
 
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Names and Synonyms

Name of Substance

  • MJ 13980-1

Synonyms

  • 2-(4-(4-(7,9-Dioxo-6-thia-8-azaspiro(4,4)nonan-8-yl)butyl)-1-piperazinyl)pyridine-3-carbonitrile hcl
  • Bmy 13980
  • Bmy-13980-1
  • MJ-13980-1

Systematic Name

  • 3-Pyridinecarbonitrile, 2-(4-(4-(2,4-dioxo-1-thia-3-azaspiro(4.4)non-3-yl)butyl)-1-piperazinyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 85581-65-3

System Generated Number

  • 0085581653

Molecular Formulas

Molecular Formula

  • C21-H27-N5-O2-S.Cl-H

Molecular Formula Fragments

  • C21-H27-N5-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N5O2S.ClH/c22-16-17-6-5-9-23-18(17)25-14-12-24(13-15-25)10-3-4-11-26-19(27)21(29-20(26)28)7-1-2-8-21;/h5-6,9H,1-4,7-8,10-15H2;1H

InChIKey

KYQWKVHYBNLXGX-UHFFFAOYSA-N

Smiles

c1(c(cccn1)C#N)N1CCN(CC1)CCCCN1C(SC2(C1=O)CCCC2)=O.Cl