Tożsamość

Orlistat Impurity M1

Nie podano · C29H55NO6

01Tożsamość

Lazychem IDLC-40930
CAS RNNie podano
PubChem CID46781654
Molecular formulaC29H55NO6
Molecular weight513.7 g/mol
IUPAC name(2S,3S,5S)-5-(2-formamido-4-methylpentanoyl)oxy-2-hexyl-3-hydroxyhexadecanoic acid
InChIKeyFKUNIADJSAJLGB-DUNLCCOXSA-N

02Struktura i stereochemia

2D structurePubChem CID 46781654
Two-dimensional chemical structure of Orlistat Impurity M1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count0
Secondary amines0
Tertiary amines0
SMILESCCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)C(CC(C)C)NC=O
InChINie podano

03Stereochemistry

The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

4 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 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

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