Identiteet

Cephaeline

CAS 483-17-0 · C28H38N2O4

01Identiteet

Lazychem IDLC-100793
CAS RN483-17-0
PubChem CID442195
Molecular formulaC28H38N2O4
Molecular weight466.6 g/mol
IUPAC name(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
InChIKeyDTGZHCFJNDAHEN-OZEXIGSWSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 442195
Two-dimensional chemical structure of Cephaeline, CAS 483-17-0
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Ring count5
Secondary amines1
Tertiary amines1
SMILESCC[C@H]1CN2CCC3=CC(=C(C=C3[C@@H]2C[C@@H]1C[C@@H]4C5=CC(=C(C=C5CCN4)O)OC)OC)OC
InChIPole loetletud

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.

04Staatus Indias

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

05Nimed ja seosed

API ja lähteravim

Pole loetletud

Nimed ja seosed

  • Cephaeline
  • 483-17-0
  • Cephaelin
  • (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol
  • CHEBI:3533
  • DTXSID501016520
  • QA971541A1
  • cephaline
  • desmethyl-emetine
  • RefChem:124364
  • DTXCID401474711
  • 207-591-6

Lisandid ja seotud ühendid

    06Allikad