Identidade

Aws7WJ5rgw

Não indicado · C24H36N2O5

01Identidade

Lazychem IDLC-35534
CAS RNNão indicado
PubChem CID129278973
Molecular formulaC24H36N2O5
Molecular weight432.6 g/mol
IUPAC name[(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-7-oxo-1,2,3,4,6,11b-hexahydrobenzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate
InChIKeyLLDNCNDMEFJGAL-JOJCTQJUSA-N

02Estrutura e estereoquímica

2D structurePubChem CID 129278973
Two-dimensional chemical structure of Aws7WJ5rgw
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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count3
Secondary amines0
Tertiary amines1
SMILESCC(C)C[C@@H]1CN2CC(=O)C3=CC(=C(C=C3[C@H]2C[C@H]1OC(=O)[C@H](C(C)C)N)OC)OC
InChINão indicado

03Stereochemistry

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

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact 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.

04Estado na Índia

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

05Nomes e relações

API e fármaco de origem

Não indicado

Nomes e relações

    Impurezas e compostos relacionados

      06Fontes