Tunnistetiedot

Sancycline hydrochloride

Ei ilmoitettu · C21H23ClN2O7

01Tunnistetiedot

Lazychem ID	LC-40238
CAS RN	Ei ilmoitettu
PubChem CID	54712662
Molecular formula	C21H23ClN2O7
Molecular weight	450.9 g/mol
IUPAC name	(4S,4aS,5aR,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride
InChIKey	CIJFGLCHAOVWRZ-QKYUADJBSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of Sancycline hydrochloride — 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 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	4
Secondary amines	0
Tertiary amines	1

SMILES	CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O.Cl
InChI	Ei ilmoitettu

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 16Before 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.