Tunnistetiedot

Simvastatin-D3

Ei ilmoitettu · C25H38O5

01Tunnistetiedot

Lazychem IDLC-28123
CAS RNEi ilmoitettu
PubChem CID75125714
Molecular formulaC25H38O5
Molecular weight421.6 g/mol
IUPAC name[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-2-(trideuteriomethyl)butanoate
InChIKeyRYMZZMVNJRMUDD-LONBHWHVSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 75125714
Two-dimensional chemical structure of Simvastatin-D3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres7
Ring count3
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]3C[C@H](CC(=O)O3)O)C
InChIEi ilmoitettu

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

3 records

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.

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.

04Tila Intiassa

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

05Nimet ja suhteet

API ja emolääke

Simvastatin

Epäpuhtaudet ja lähiyhdisteet

Nimet ja suhteet

    Epäpuhtaudet ja lähiyhdisteet

    06Lähteet