Simvastatin Impurity 16

01Identitet

Lazychem ID	LC-28112
CAS RN	Ikke angivet
PubChem CID	176476958
Molecular formula	C30H51NO5
Molecular weight	505.7 g/mol
IUPAC name	[(1S,3R,7S,8S,8aR)-8-[(3R,5R)-7-[butyl(methyl)amino]-3,5-dihydroxy-7-oxoheptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
InChIKey	GTXCWVZVLSZOGK-ZNFHGHDDSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Simvastatin Impurity 16 — 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 stereocentres	7
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	CCCCN(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)(C)CC)C)C)O)O
InChI	Ikke angivet

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully 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.

CAS not listed

GTXCWVZVLSZOGK-ZNFHGHDDSA-N

Current configuration

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 i Indien

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

05Navne og relationer

API og moderlægemiddel

Simvastatin

Urenheder og beslægtede forbindelser

Navne og relationer

06Kilder

S01
PubChem CID 176476958
Structure and machine-readable chemical identifiers.