Identitet

Apo-ipratropium

Ikke angivet · C20H28NO2+

01Identitet

Lazychem IDLC-43370
CAS RNIkke angivet
PubChem CID16742142
Molecular formulaC20H28NO2+
Molecular weight314.4 g/mol
IUPAC name[(1S,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylprop-2-enoate
InChIKeyAPBFGXKTZSOWLK-FUUYNRHESA-N

02Struktur og stereokemi

2D structurePubChem CID 16742142
Two-dimensional chemical structure of Apo-ipratropium
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count3
Secondary amines0
Tertiary amines0
SMILESCC(C)[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C(=C)C3=CC=CC=C3)C
InChIIkke angivet

03Stereochemistry

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

Defined centres2Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16Before 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

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