Identita

Brombuterol

Neuvedeno · C12H18Br2N2O

01Identita

Lazychem IDLC-89644
CAS RNNeuvedeno
PubChem CID3084849
Molecular formulaC12H18Br2N2O
Molecular weight366.09 g/mol
IUPAC name1-(4-amino-3,5-dibromophenyl)-2-(tert-butylamino)ethanol
InChIKeyPLFUBWPEUSILSL-UHFFFAOYSA-N

02Struktura a stereochemie

2D structurePubChem CID 3084849
Two-dimensional chemical structure of Brombuterol
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count1
Secondary amines1
Tertiary amines0
SMILESCC(C)(C)NCC(C1=CC(=C(C(=C1)Br)N)Br)O
InChINeuvedeno

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact 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.

04Stav v Indii

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

05Názvy a vztahy

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      06Zdroje