
Identitet
(-)-Tetrabenazine
Ikke angivet · C19H27NO3
01Identitet
| Lazychem ID | LC-76841 |
|---|---|
| CAS RN | Ikke angivet |
| PubChem CID | 11634155 |
| Molecular formula | C19H27NO3 |
| Molecular weight | 317.4 g/mol |
| IUPAC name | (3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one |
| InChIKey | MKJIEFSOBYUXJB-HOCLYGCPSA-N |
02Struktur og stereokemi

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 stereocentres | 2 |
|---|---|
| Ring count | 3 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | CC(C)C[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2CC1=O)OC)OC |
|---|---|
| InChI | Ikke angivet |
03Stereochemistry
The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Published same-connectivity configurations
5 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

![Two-dimensional chemical structure of (3S,11bR)-3-isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one](/structures/pubchem/7059638-300.png)
(3S,11bR)-3-isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one
CAS not listed
MKJIEFSOBYUXJB-GOEBONIOSA-N
2 defined, 0 unassigned centres

Deutetrabenazine Impurity 27
CAS not listed
MKJIEFSOBYUXJB-VLTLVWQJSA-N
2 defined, 0 unassigned centres

Deutetrabenazine, (R,S)-rel-
CAS not listed
MKJIEFSOBYUXJB-XZNUEWKKSA-N
2 defined, 0 unassigned centres

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
API og moderlægemiddel
Ikke angivet
Navne og relationer
06Kilder
- S01PubChem CID 11634155
Structure and machine-readable chemical identifiers.
