Identità

Simvastatin Impurity 29

Non indicato · C19H28O4

01Identità

Lazychem IDLC-28120
CAS RNNon indicato
PubChem CID176476966
Molecular formulaC19H28O4
Molecular weight320.4 g/mol
IUPAC name(Z,5R)-5-hydroxy-7-[(1S,2S,6R,8S)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]hept-2-enoic acid
InChIKeyTVXUFXKGEHQFFN-XEUIXTRBSA-N

02Struttura e stereochimica

2D structurePubChem CID 176476966
Two-dimensional chemical structure of Simvastatin Impurity 29
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres5
Ring count2
Secondary amines0
Tertiary amines0
SMILESC[C@@H]1C[C@@H](C2[C@H]([C@H](C=CC2=C1)C)CC[C@H](C/C=C\C(=O)O)O)O
InChINon indicato

03Stereochemistry

The published structure contains 5 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially 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.

04Stato in India

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

05Nomi e relazioni

API e farmaco progenitore

Simvastatin

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    06Fonti