Identita

Levosimendan Dimer

CAS 618458-79-0 · C30H30N12O3

01Identita

Lazychem IDLC-18618
CAS RN618458-79-0
PubChem CID139025424
Molecular formulaC30H30N12O3
Molecular weight606.65 g/mol
IUPAC name(Z)-6-ethoxy-4-imino-N'-(4-((R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)-5-((E)-(4-((R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)diazenyl)-1,4-dihydropyrimidine-2-carbohydrazonoyl cyanide
InChIKeyKVKNYIOTKLQRSP-HPPHFFIJSA-N

02Struktura a stereochemie

2D structurePubChem CID 139025424
Two-dimensional chemical structure of Levosimendan Dimer, CAS 618458-79-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count5
Secondary amines1
Tertiary amines0
SMILESCCOC1=NC(=NC(=C1N=NC2=CC=C(C=C2)C3=NNC(=O)C[C@H]3C)N)/C(=N/NC4=CC=C(C=C4)C5=NNC(=O)C[C@H]5C)/C#N
InChINeuvedeno

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Názvy a vztahy

API a mateřské léčivo

Levosimendan

Nečistoty a související sloučeniny

Názvy a vztahy

  • Levosimendan Impurity 3 / Levosimendan Dimer
  • Levosimendan Impurity 3
  • Levosimendan Dimer
  • 4-Amino-6-ethoxy-5-[[4-[(4R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl]azo]-a-[[4-[(4R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl]hydrazono]-2-pyrimidineacetonitrile
  • 618458-79-0
  • (E)-4-Amino-6-ethoxy-N-(4-((R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)-5-((E)-(4-((R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)diazenyl)pyrimidine-2-carbohydrazonoyl cyanide
  • OR 1746
  • 4-Amino-6-ethoxy-5-[[4-[(4R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl]azo]-alpha-[[4-[(4R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl]hydrazono]-2-pyrimidineacetonitrile

Nečistoty a související sloučeniny

06Zdroje