Identitet

Tadalafil 3-methyl catechol

Ikke angivet · C22H21N3O4

01Identitet

Lazychem ID	LC-39567
CAS RN	Ikke angivet
PubChem CID	59087892
Molecular formula	C22H21N3O4
Molecular weight	391.4 g/mol
IUPAC name	(2R,8R)-2-(4-hydroxy-3-methoxyphenyl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
InChIKey	VRZVIFLUHIVHCZ-IIBYNOLFSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Tadalafil 3-methyl catechol — 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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC(=C(C=C4)O)OC)NC5=CC=CC=C35
InChI	Ikke 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

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.