Identitate

Cyclic 3-Hydroxymelatonin

CAS 67199-08-0 · C13H16N2O3

01Identitate

Lazychem IDLC-11517
CAS RN67199-08-0
PubChem CID85950298
Molecular formulaC13H16N2O3
Molecular weight248.28 g/mol
IUPAC name1-(3a-hydroxy-5-methoxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-1(2H)-yl)ethanone
InChIKeyVADOSKJWFKUPQF-UHFFFAOYSA-N

02Structură și stereochimie

2D structurePubChem CID 85950298
Two-dimensional chemical structure of Cyclic 3-Hydroxymelatonin, CAS 67199-08-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count3
Secondary amines1
Tertiary amines0
SMILESCC(=O)N1CCC2(C1NC3=C2C=C(C=C3)OC)O
InChINu este indicat

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

04Statut în India

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

05Denumiri și relații

API și medicament părinte

Melatonin

Impurități și compuși înrudiți

Denumiri și relații

  • Cyclic 3-Hydroxy Melatonin
  • 67199-08-0
  • SCHEMBL29575467
  • CHEBI:173768
  • 1-(3a-Hydroxy-5-methoxy-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indol-1(2H)-yl)ethan-1-one
  • 1-(8b-hydroxy-7-methoxy-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone

Impurități și compuși înrudiți

06Surse