Identität

Simvastatin Impurity 18

Nicht angegeben · C41H77NO5Si2

01Identität

Lazychem IDLC-28114
CAS RNNicht angegeben
PubChem CID176476960
Molecular formulaC41H77NO5Si2
Molecular weight720.2 g/mol
IUPAC name[(1S,3R,7S,8S,8aR)-8-[(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[butyl(methyl)amino]-7-oxoheptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate
InChIKeyMZPLCUOGFMLLBZ-VXEVXMTNSA-N

02Struktur und Stereochemie

2D structurePubChem CID 176476960
Two-dimensional chemical structure of Simvastatin Impurity 18
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
SMILESCCCCN(C)C(=O)C[C@@H](C[C@@H](CC[C@H]1[C@H](C=CC2=C[C@@H](C[C@@H]([C@H]12)OC(=O)C(C)CC)C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChINicht angegeben

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.

04Status in Indien

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

05Namen und Beziehungen

API und Ausgangsarzneistoff

Simvastatin

Verunreinigungen und verwandte Verbindungen

Namen und Beziehungen

    Verunreinigungen und verwandte Verbindungen

    06Quellen