Tożsamość

3-Hydroxy Simvastatin

CAS 134523-09-4 · C25H38O6

01Tożsamość

Lazychem IDLC-02571
CAS RN134523-09-4
PubChem CID45039527
Molecular formulaC25H38O6
Molecular weight434.6 g/mol
IUPAC name[(1S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate
InChIKeyWJKSTNFUSXHVRJ-KWPXGIBLSA-N

02Struktura i stereochemia

2D structurePubChem CID 45039527
Two-dimensional chemical structure of 3-Hydroxy Simvastatin, CAS 134523-09-4
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 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Ring count3
Secondary amines0
Tertiary amines0
SMILESCCC(C)(C)C(=O)O[C@H]1CC(C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)(C)O
InChINie podano

03Stereochemistry

The published structure contains 6 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres1Structure 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.

04Status w Indiach

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

05Nazwy i powiązania

API i lek macierzysty

Simvastatin

Zanieczyszczenia i związki pokrewne

Nazwy i powiązania

  • Butanoic acid,2,2-dimethyl-,1,2,3,7,8,8a-hexahydro-3-hydroxy-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenylester

Zanieczyszczenia i związki pokrewne

06Źródła