Identité

Arotinolol, (S)-

Non indiqué · C15H21N3O2S3

01Identité

Lazychem IDLC-45121
CAS RNNon indiqué
PubChem CID12797284
Molecular formulaC15H21N3O2S3
Molecular weight371.5 g/mol
IUPAC name5-[2-[(2S)-3-(tert-butylamino)-2-hydroxypropyl]sulfanyl-1,3-thiazol-4-yl]thiophene-2-carboxamide
InChIKeyBHIAIPWSVYSKJS-VIFPVBQESA-N

02Structure et stéréochimie

2D structurePubChem CID 12797284
Two-dimensional chemical structure of Arotinolol, (S)-
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count2
Secondary amines1
Tertiary amines0
SMILESCC(C)(C)NC[C@@H](CSC1=NC(=CS1)C2=CC=C(S2)C(=O)N)O
InChINon indiqué

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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 en Inde

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

05Noms et relations

API et médicament parent

Non indiqué

Noms et relations

    Impuretés et composés apparentés

      06Sources