Identitet

N-Nitroso Esmolol Dimer

Ikke angivet · C31H45N3O8

01Identitet

Lazychem IDLC-21858
CAS RNIkke angivet
PubChem CID176489615
Molecular formulaC31H45N3O8
Molecular weight587.70 g/mol
IUPAC nameMethyl 3-(4-(2-hydroxy-3-(3-(4-(2-hydroxy-3-(isopropyl(nitroso)amino)propoxy)phenyl)-N-isopropylpropanamido)propoxy)phenyl)propanoate
InChIKeyLJCCILCCKHHFIW-UHFFFAOYSA-N

02Struktur og stereokemi

2D structurePubChem CID 176489615
Two-dimensional chemical structure of N-Nitroso Esmolol Dimer
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, contains an N-nitroso substructure. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count2
Secondary amines0
Tertiary amines1
SMILESO=C(OC)CCC1=CC=C(OCC(O)CN(C(C)C)C(CCC2=CC=C(OCC(O)CN(C(C)C)N=O)C=C2)=O)C=C1
InChIIkke angivet

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.

04Status i Indien

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

05Navne og relationer

API og moderlægemiddel

Esmolol

Urenheder og beslægtede forbindelser

Navne og relationer

    Urenheder og beslægtede forbindelser

    06Kilder