Identita

Ripasudil Hydrochloride

Neuvedeno · C15H23ClFN3O4S

01Identita

Lazychem ID	LC-76856
CAS RN	Neuvedeno
PubChem CID	11625386
Molecular formula	C15H23ClFN3O4S
Molecular weight	395.9 g/mol
IUPAC name	4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline;dihydrate;hydrochloride
InChIKey	CMDJNMACGABCKQ-XVSRHIFFSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Ripasudil Hydrochloride — 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 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

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

SMILES	C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)F.O.O.Cl
InChI	Neuvedeno

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before 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.