Identitet

Halcinonide Impurity N1

CAS 3093-36-5 · C24H33FO5

01Identitet

Lazychem IDLC-16461
CAS RN3093-36-5
PubChem CID176489245
Molecular formulaC24H33FO5
Molecular weight420.52 g/mol
IUPAC name(6aS,6bR,7S,8aS,8bS,11aS,12aS,12bS)-8b-Acetyl-6b-fluoro-7-hydroxy-6a,8a,10,10-tetramethyl-1,2,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-tetradecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4-one
InChIKeyXSTGVVQIRLXDLQ-NBZNFXJDSA-N

02Struktura i stereokemija

2D structurePubChem CID 176489245
Two-dimensional chemical structure of Halcinonide Impurity N1, CAS 3093-36-5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aliphatic carbon, has 6 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres6
Ring count5
Secondary amines0
Tertiary amines0
SMILESCC(=O)[C@@]12[C@@H](CC3[C@@]1(C[C@@H]([C@]4(C3CCC5=CC(=O)CC[C@@]54C)F)O)C)OC(O2)(C)C
InChINije navedeno

03Stereochemistry

The published structure contains 6 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 256Before 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 u Indiji

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

05Nazivi i povezanosti

API i matični lijek

Halcinonide

Nečistoće i srodni spojevi

Nazivi i povezanosti

  • Halcinonide Impurity 1
  • Halcinonide Impurity N1
  • 3093-36-5

Nečistoće i srodni spojevi

06Izvori