Identitet

Pinaverium Impurity 4

Ikke angivet · C26H41Br2NO4

01Identitet

Lazychem IDLC-34065
CAS RNIkke angivet
PubChem CID145721938
Molecular formulaC26H41Br2NO4
Molecular weight591.4 g/mol
IUPAC name4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholin-4-ium bromide
InChIKeyIKGXLCMLVINENI-QOXGANSBSA-M

02Struktur og stereokemi

2D structurePubChem CID 145721938
Two-dimensional chemical structure of Pinaverium Impurity 4
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 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count5
Secondary amines0
Tertiary amines0
SMILESCC1([C@H]2CC[C@H]([C@@H]1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-]
InChIIkke angivet

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

3 records

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.

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

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