Tunnistetiedot

6-Hydroxyapoatropine

Ei ilmoitettu · C17H21NO3

01Tunnistetiedot

Lazychem IDLC-36778
CAS RNEi ilmoitettu
PubChem CID91700478
Molecular formulaC17H21NO3
Molecular weight287.35 g/mol
IUPAC name(6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate
InChIKeyIZVZMPYXRCTCEG-UHFFFAOYSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 91700478
Two-dimensional chemical structure of 6-Hydroxyapoatropine
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 amines0
Tertiary amines1
SMILESCN1C2CC(CC1C(C2)O)OC(=O)C(=C)C3=CC=CC=C3
InChIEi ilmoitettu

03Stereochemistry

The published structure contains 0 defined and 4 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres4Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

04Tila Intiassa

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

05Nimet ja suhteet

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      06Lähteet