Идентичност

alpha Hydroxy montelukast

Не е посочено · C35H36ClNO4S

01Идентичност

Lazychem ID	LC-38635
CAS RN	Не е посочено
PubChem CID	70702423
Molecular formula	C35H36ClNO4S
Molecular weight	602.2 g/mol
IUPAC name	2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]-2-hydroxyacetic acid
InChIKey	QFJAHHNMKTWTGZ-DZAPPIOQSA-N

02Структура и стереохимия

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

The parsed structure contains 5 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	5
Secondary amines	0
Tertiary amines	0

SMILES	CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)C(C(=O)O)O)O
InChI	Не е посочено

03Stereochemistry

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

Defined centres1Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 4Before 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.