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Substance Name: CK 492B
RN: 64169-11-5
InChIKey: VLHVQVUMLUZGET-UHFFFAOYSA-N

Molecular Formula

  • C34-H58-N10-O2.2C-H4-O3-S

Molecular Weight

  • 831.111
 
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Names and Synonyms

Name of Substance

  • CK 492B

Synonyms

  • 1,4-Bis-(3-(1-adamantyl carbamylguanidino)propyl)piperazine
  • CK-492B
  • CK0492B

Systematic Name

  • Urea, N,N'-(1,4-piperazinediylbis(3,1-propanediyliminocarbonimidoyl)bis(N-tricyclo(3.3.1.1(3,7))dec-1-yl-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 64169-11-5

System Generated Number

  • 0064169115

Molecular Formulas

Molecular Formula

  • C34-H58-N10-O2.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C34-H58-N10-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C34H58N10O2.2CH4O3S/c35-29(39-31(45)41-33-17-23-11-24(18-33)13-25(12-23)19-33)37-3-1-5-43-7-9-44(10-8-43)6-2-4-38-30(36)40-32(46)42-34-20-26-14-27(21-34)16-28(15-26)22-34;2*1-5(2,3)4/h23-28H,1-22H2,(H4,35,37,39,41,45)(H4,36,38,40,42,46);2*1H3,(H,2,3,4)

InChIKey

VLHVQVUMLUZGET-UHFFFAOYSA-N

Smiles

C1C2CC3(NC(NC(NCCCN4CCN(CC4)CCCNC(NC(=O)NC45CC6CC(CC(C6)C4)C5)=N)=N)=O)CC(C2)CC1C3.S(=O)(C)(O)=O.S(=O)(C)(O)=O