Identität

Dexamethasone-D4

Nicht angegeben · C22H25D4FO5

01Identität

Lazychem IDLC-12589
CAS RNNicht angegeben
PubChem CID76974609
Molecular formulaC22H25D4FO5
Molecular weight396.49 g/mol
IUPAC name(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl-d2)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one-4,6-d2
InChIKeyUREBDLICKHMUKA-SOEBWSEYSA-N

02Struktur und Stereochemie

2D structurePubChem CID 76974609
Two-dimensional chemical structure of Dexamethasone-D4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 8 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres8
Ring count4
Secondary amines0
Tertiary amines0
SMILES[2H]C1C[C@H]2[C@@H]3C[C@H]([C@@]([C@]3(C[C@@H]([C@@]2([C@@]4(C1=C(C(=O)C=C4)[2H])C)F)O)C)(C(=O)C([2H])([2H])O)O)C
InChINicht angegeben

03Stereochemistry

The published structure contains 8 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres8Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 512Before 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 in Indien

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

05Namen und Beziehungen

API und Ausgangsarzneistoff

Dexamethasone

Verunreinigungen und verwandte Verbindungen

Namen und Beziehungen

    Verunreinigungen und verwandte Verbindungen

    06Quellen