Identitāte

Pholcodine Impurity D

Nav norādīts · C29H41N3O5

01Identitāte

Lazychem ID	LC-36494
CAS RN	Nav norādīts
PubChem CID	101067525
Molecular formula	C29H41N3O5
Molecular weight	511.7 g/mol
IUPAC name	(4R,4aR,7S,7aR,12bS)-3-methyl-7,9-bis(2-morpholin-4-ylethoxy)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
InChIKey	NDDIPZHSOIMDOO-IZYVUOEASA-N

02Struktūra un stereoķīmija

Two-dimensional chemical structure of Pholcodine Impurity D — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 rings, includes aromatic atoms, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	7
Secondary amines	0
Tertiary amines	3

SMILES	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OCCN6CCOCC6)O[C@H]3[C@H](C=C4)OCCN7CCOCC7
InChI	Nav norādīts

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 32Before 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.