Azonosítás

Mirogabalin Dimer Impurity

Nincs megadva · C24H36N2O3

01Azonosítás

Lazychem IDLC-20427
CAS RNNincs megadva
PubChem CID172990322
Molecular formulaC24H36N2O3
Molecular weight400.55 g/mol
IUPAC name2-((1R,5S,6S)-6-((2-((1R,5S,6S)-6-(aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl)acetamido)methyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl)acetic acid
InChIKeyVBAWJYBGMCTURB-RHEDTODXSA-N

02Szerkezet és sztereokémia

2D structurePubChem CID 172990322
Two-dimensional chemical structure of Mirogabalin Dimer Impurity
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Ring count4
Secondary amines0
Tertiary amines0
SMILESCCC1=C[C@@H]2[C@H](C1)C[C@@]2(CC(=O)NC[C@@]3(C[C@@H]4[C@H]3C=C(C4)CC)CC(=O)O)CN
InChINincs megadva

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before 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.

04Indiai státusz

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

05Nevek és kapcsolatok

API és anyavegyület

Mirogabalin

Szennyezők és rokon vegyületek

Nevek és kapcsolatok

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    06Források