化学标识

Hydroxymethyl Simvastatin

未列出 · C26H40O6

01化学标识

Lazychem IDLC-16787
CAS RN未列出
PubChem CID138393234
Molecular formulaC26H40O6
Molecular weight448.6 g/mol
IUPAC name[(1S,3R,8S,8aR)-1-(hydroxymethyl)-8-[2-[(4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-3,7,8,8a-tetrahydro-2H-naphthalen-1-yl] 2,2-dimethylbutanoate
InChIKeyFPUXRLQQFNQSBI-XEWBTUSXSA-N

02结构与立体化学

2D structurePubChem CID 138393234
Two-dimensional chemical structure of Hydroxymethyl Simvastatin
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.
SMILESCCC(C)(C)C(=O)O[C@]1(C[C@H](C=C2[C@H]1[C@H](C(C=C2)C)CCC3C[C@H](CC(=O)O3)O)C)CO
InChI未列出

03Stereochemistry

The published structure contains 5 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 128Before 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.

04印度监管状态

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

05名称与关联

原料药与母体药物

Simvastatin

杂质与相关化合物

名称与关联

    杂质与相关化合物

    06来源