Identitāte

7-Hydroxygranisetron

Nav norādīts · C18H24N4O2

01Identitāte

Lazychem ID	LC-41609
CAS RN	Nav norādīts
PubChem CID	25271976
Molecular formula	C18H24N4O2
Molecular weight	328.4 g/mol
IUPAC name	7-hydroxy-1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide
InChIKey	AJEBHUMZPBDLQF-YHWZYXNKSA-N

02Struktūra un stereoķīmija

Two-dimensional chemical structure of 7-Hydroxygranisetron — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 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	4
Secondary amines	0
Tertiary amines	1

SMILES	CN1[C@@H]2CCC[C@H]1CC(C2)NC(=O)C3=NN(C4=C3C=CC=C4O)C
InChI	Nav norādīts

03Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 8Before 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.