Aitheantas

Nicotine Bitartrate

Gan liostú · C18H30N2O14

01Aitheantas

Lazychem ID	LC-49898
CAS RN	Gan liostú
PubChem CID	2735102
Molecular formula	C18H30N2O14
Molecular weight	498.4 g/mol
IUPAC name	bis((2R,3R)-2,3-dihydroxybutanedioic acid);3-[(2S)-1-methylpyrrolidin-2-yl]pyridine;dihydrate
InChIKey	LDMPZNTVIGIREC-ZGPNLCEMSA-N

02Struchtúr agus steiréicheimic

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

The parsed structure contains 2 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	2
Secondary amines	0
Tertiary amines	1

SMILES	CN1CCC[C@H]1C2=CN=CC=C2.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.O.O
InChI	Gan liostú

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.