Atrasentan Impurity 13

01Identità

Lazychem ID	LC-48751
CAS RN	Mhux elenkat
PubChem CID	6101870
Molecular formula	C29H38N2O6
Molecular weight	510.6 g/mol
IUPAC name	(2S,3R,4R)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
InChIKey	MOTJMGVDPWRKOC-MLKSZZLFSA-N

02Struttura u stereokimika

Two-dimensional chemical structure of Atrasentan Impurity 13 — 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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	4
Secondary amines	0
Tertiary amines	1

SMILES	CCCCN(CCCC)C(=O)CN1C[C@H]([C@H]([C@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4
InChI	Mhux elenkat

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

4 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

MOTJMGVDPWRKOC-MLKSZZLFSA-N

Current configuration

(2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid

CAS not listed

MOTJMGVDPWRKOC-XTBZXYEFSA-N

3 defined, 0 unassigned centres

(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

CAS not listed

MOTJMGVDPWRKOC-MXSCXNJPSA-N

3 defined, 0 unassigned centres

Atrasentan

CAS not listed

MOTJMGVDPWRKOC-QPVYNBJUSA-N

3 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.

04Status fl-Indja

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

Atrasentan Impurity 13

01Identità

02Struttura u stereokimika

03Stereochemistry

Published same-connectivity configurations