Identitet

Dobutamine

Ikke angivet · C18H23NO3

01Identitet

Lazychem IDLC-53578
CAS RNIkke angivet
PubChem CID36811
Molecular formulaC18H23NO3
Molecular weight301.4 g/mol
IUPAC name4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol
InChIKeyJRWZLRBJNMZMFE-UHFFFAOYSA-N

02Struktur og stereokemi

2D structurePubChem CID 36811
Two-dimensional chemical structure of Dobutamine
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. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count2
Secondary amines1
Tertiary amines0
SMILESCC(CCC1=CC=C(C=C1)O)NCCC2=CC(=C(C=C2)O)O
InChIIkke angivet

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.

04Status i Indien

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

05Navne og relationer

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