Tunnistetiedot

Alvimopan dihydrate

Ei ilmoitettu · C25H36N2O6

01Tunnistetiedot

Lazychem ID	LC-84561
CAS RN	Ei ilmoitettu
PubChem CID	5488547
Molecular formula	C25H36N2O6
Molecular weight	460.6 g/mol
IUPAC name	2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid;dihydrate
InChIKey	USPVLEIQIUNQGE-DBFLIVQGSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of Alvimopan dihydrate — 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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	3
Secondary amines	0
Tertiary amines	1

SMILES	C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O
InChI	Ei ilmoitettu

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully 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.