Identiteet

Esmolol Dimer Impurity

CAS 98903-89-0 · C31H46N2O7

01Identiteet

Lazychem IDLC-14427
CAS RN98903-89-0
PubChem CID71587371
Molecular formulaC31H46N2O7
Molecular weight558.71 g.mol
IUPAC name4-[2-hydroxy-3-[[3-[4-[2-hydroxy-3-[(1-metylethyl) amino]propoxy]phenyl]-1-oxopropyl](1- methylethyl)amino]propoxy]-benzeneprpoanoic acid methyl ester
InChIKeyJBMBZZIIOOLKLA-UHFFFAOYSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 71587371
Two-dimensional chemical structure of Esmolol Dimer Impurity, CAS 98903-89-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres0
Ring count2
Secondary amines1
Tertiary amines0
SMILESCC(C)NCC(COC1=CC=C(C=C1)CCC(=O)N(CC(COC2=CC=C(C=C2)CCC(=O)OC)O)C(C)C)O
InChIPole loetletud

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact 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.

04Staatus Indias

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

05Nimed ja seosed

API ja lähteravim

Esmolol

Lisandid ja seotud ühendid

Nimed ja seosed

  • Esmolol dimer
  • 98903-89-0
  • 813ZHJ4G3Y
  • Benzenepropanoic acid, 4-(2-hydroxy-3-((3-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-1-oxopropyl)(1-methylethyl)amino)propoxy)-, methyl ester
  • RefChem:1084269
  • Esmolol dimer [USP]
  • UNII-813ZHJ4G3Y
  • Esmolol hydrochloride impurity,esmolol dimer- [USP]
  • methyl 3-[4-[2-hydroxy-3-[3-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoyl-propan-2-ylamino]propoxy]phenyl]propanoate
  • 4-[2-hydroxy-3-[[3-[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]-1-oxopropyl](1-methylethyl)amino]propoxy]-benzenepropanoic Acid Methyl Ester
  • C31H46N2O7
  • ESMOLOL DIMER [USP IMPURITY]

Lisandid ja seotud ühendid

06Allikad