Identität

Alclometasone

CAS 67452-97-5 · C22H29ClO5

01Identität

Lazychem IDLC-100639
CAS RN67452-97-5
PubChem CID5311000
Molecular formulaC22H29ClO5
Molecular weight408.9 g/mol
IUPAC name(7R,8S,9S,10R,11S,13S,14S,16R,17R)-7-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
InChIKeyFJXOGVLKCZQRDN-PHCHRAKRSA-N

02Struktur und Stereochemie

2D structurePubChem CID 5311000
Two-dimensional chemical structure of Alclometasone, CAS 67452-97-5
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 9 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres9
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[C@@H]1C[C@H]2[C@@H]3[C@@H](CC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C)Cl
InChINicht angegeben

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully 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

Nicht angegeben

Namen und Beziehungen

  • alclometasone
  • 67452-97-5
  • Aclometasone
  • 7alpha-Chloro-16alpha-methylprednisolone
  • UNII-136H45TB7B
  • 136H45TB7B
  • (7alpha,11beta,16alpha)-7-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione
  • CHEBI:53776
  • alclometasonum
  • RefChem:57285
  • D07AB10
  • S01BA10

Verunreinigungen und verwandte Verbindungen

    06Quellen