Identita

Zolmitriptan EP Impurity I

CAS 659738-69-9 · C17H21N3O4

01Identita

Lazychem IDLC-31110
CAS RN659738-69-9
PubChem CID10449364
Molecular formulaC17H21N3O4
Molecular weight331.4 g/mol
IUPAC name3-[2-(Dimethylamino)ethyl]-5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indole-2-carboxylic acid
InChIKeyPRLUPEADUDNTPI-NSHDSACASA-N

02Struktura a stereochemie

2D structurePubChem CID 10449364
Two-dimensional chemical structure of Zolmitriptan EP Impurity I, CAS 659738-69-9
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. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count3
Secondary amines0
Tertiary amines1
SMILESCN(C)CCC1=C(NC2=C1C=C(C=C2)C[C@H]3COC(=O)N3)C(=O)O
InChINeuvedeno

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

05Názvy a vztahy

API a mateřské léčivo

Zolmitriptan

Nečistoty a související sloučeniny

Názvy a vztahy

  • (S)-3-(2-Dimethylaminoethyl)-5-(2-oxo-1,3-oxazolidin-4-ylmethyl)-1H-indol-2-carboxylic Acid
  • Zolmitriptan-2-carboxylic Acid
  • 659738-69-9
  • DZ2G9845EY
  • UNII-DZ2G9845EY
  • Zolmitriptan impurity I [EP]
  • 3-(2-(Dimethylamino)ethyl)-5-(((4S)-2-oxo-4-oxazolidinyl)methyl)-1H-indole-2-carboxylic acid
  • 1H-Indole-2-carboxylic acid, 3-(2-(dimethylamino)ethyl)-5-(((4S)-2-oxo-4-oxazolidinyl)methyl)-
  • Zolmitriptan Impurity 7
  • SCHEMBL4087151
  • PRLUPEADUDNTPI-NSHDSACASA-N
  • ZOLMITRIPTAN IMPURITY I [EP IMPURITY]

Nečistoty a související sloučeniny

06Zdroje