Identitet

(-)-Tetrabenazine

Ikke angivet · C19H27NO3

01Identitet

Lazychem IDLC-76841
CAS RNIkke angivet
PubChem CID11634155
Molecular formulaC19H27NO3
Molecular weight317.4 g/mol
IUPAC name(3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
InChIKeyMKJIEFSOBYUXJB-HOCLYGCPSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of (-)-Tetrabenazine
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, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count3
Secondary amines0
Tertiary amines1
SMILESCC(C)C[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2CC1=O)OC)OC
InChIIkke angivet

03Stereochemistry

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

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction

Published same-connectivity configurations

5 records

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.

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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