Beraprost Impurity 4

01Identita

Lazychem ID	LC-36610
CAS RN	Neuvedeno
PubChem CID	94826670
Molecular formula	C24H30O5
Molecular weight	398.5 g/mol
IUPAC name	4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3R,4R)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoic acid
InChIKey	CTPOHARTNNSRSR-XOABDVOSSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Beraprost Impurity 4 — 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 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	CC#CC[C@@H](C)[C@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C3=CC=CC(=C3O2)CCCC(=O)O)O)O
InChI	Neuvedeno

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

6 records

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.

CAS not listed

CTPOHARTNNSRSR-XOABDVOSSA-N

Current configuration

(8S,9S,16R) Beraprost Isomer

CAS not listed

CTPOHARTNNSRSR-RQOXEBALSA-N

6 defined, 0 unassigned centres

Two-dimensional chemical structure of 4-((1R,2R,3aS,8bS)-2-hydroxy-1-((3R,4S,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoic acid

4-((1R,2R,3aS,8bS)-2-hydroxy-1-((3R,4S,E)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-5-yl)butanoic acid

CAS not listed

CTPOHARTNNSRSR-ZCDCQMCOSA-N

6 defined, 0 unassigned centres

Beraprost

CAS not listed

CTPOHARTNNSRSR-APJZLKAGSA-N

5 defined, 1 unassigned centres

Beraprost Impurity 1

CAS not listed

CTPOHARTNNSRSR-YHCAXTHDSA-N

5 defined, 1 unassigned centres

Esuberaprost

CAS not listed

CTPOHARTNNSRSR-NOQAJONNSA-N

6 defined, 0 unassigned centres

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

Beraprost Impurity 4

01Identita

02Struktura a stereochemie

03Stereochemistry

Published same-connectivity configurations