Identità

Simvastatin Acid-D3

Non indicato · C26H39D3O6

01Identità

Lazychem IDLC-28092
CAS RNNon indicato
PubChem CID131632885
Molecular formulaC26H39D3O6
Molecular weight453.6 g/mol
IUPAC name(4S,6R)-8-[(1S,2S,6R,8S,8aR)-2,6-dimethyl-8-[2-methyl-2-(trideuteriomethyl)butanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-4,6-dihydroxyoctanoic acid
InChIKeyPLNPEDNGLSMHOD-MFIUAOMZSA-N

02Struttura e stereochimica

2D structurePubChem CID 131632885
Two-dimensional chemical structure of Simvastatin Acid-D3
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 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres7
Ring count2
Secondary amines0
Tertiary amines0
SMILES[2H]C([2H])([2H])C(C)(CC)C(=O)O[C@H]1C[C@H](C=C2[C@@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CCC(=O)O)O)O)C
InChINon indicato

03Stereochemistry

The published structure contains 7 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 256Before 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

Impurezze e composti correlati

Nomi e relazioni

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    06Fonti