Identitet

Simvastatin Impurity 19

Ikke angivet · C31H51NO5

01Identitet

Lazychem IDLC-28115
CAS RNIkke angivet
PubChem CID176476961
Molecular formulaC31H51NO5
Molecular weight517.74 g/mol
IUPAC name[(1S,3R,7S,8S)-8-[(3R,5R)-7-(cyclohexylamino)-3,5-dihydroxy-7-oxoheptyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
InChIKeyNDJRQKHMWWVASB-ZIIGMLFBSA-N

02Struktur og stereokemi

2D structurePubChem CID 176476961
Two-dimensional chemical structure of Simvastatin Impurity 19
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]1C[C@H](C=C2C1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)NC3CCCCC3)O)O)C
InChIIkke angivet

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 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

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Simvastatin

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