Tożsamość

ML213

Nie podano · C17H23NO

01Tożsamość

Lazychem IDLC-89566
CAS RNNie podano
PubChem CID3111211
Molecular formulaC17H23NO
Molecular weight257.37 g/mol
IUPAC nameN-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
InChIKeySIQGKPGBLYKQBB-UHFFFAOYSA-N

02Struktura i stereochemia

2D structurePubChem CID 3111211
Two-dimensional chemical structure of ML213
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. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
SMILESCC1=CC(=C(C(=C1)C)NC(=O)C2CC3CCC2C3)C
InChINie podano

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres3Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 8Before 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 w Indiach

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

05Nazwy i powiązania

API i lek macierzysty

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Nazwy i powiązania

    Zanieczyszczenia i związki pokrewne

      06Źródła