Chemical identity

Zolmitriptan Related Compound A / Zolmitriptan EP Impurity G / Zolmitriptan-N-Desmethyl

CAS 139264-35-0 · C15H19N3O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-31120
PubChem CID10333498
NameZolmitriptan Related Compound A / Zolmitriptan EP Impurity G / Zolmitriptan-N-Desmethyl
CAS RN139264-35-0
Molecular formulaC15H19N3O2
Molecular weight273.33 g/mol
IUPAC name(S)-4-({3-[2-(Methylamino)ethyl]-1H-indol-5-yl}methyl)oxazolidin-2-one
InChIKeyQGGCHSMZXKNGCK-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 10333498
2D structure: Zolmitriptan Related Compound A / Zolmitriptan EP Impurity G / Zolmitriptan-N-Desmethyl, CAS 139264-35-0
Structure of Zolmitriptan Related Compound A / Zolmitriptan EP Impurity G / Zolmitriptan-N-Desmethyl (CAS 139264-35-0). LazyChem record. Source identity: PubChem CID 10333498. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC15H19N3O2
InChIKeyQGGCHSMZXKNGCK-UHFFFAOYSA-N
Ring count3
Defined stereocentres0
Unassigned stereocentres1
SMILESCNCCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3
InChIInChI=1S/C15H19N3O2/c1-16-5-4-11-8-17-14-3-2-10(7-13(11)14)6-12-9-20-15(19)18-12/h2-3,7-8,12,16-17H,4-6,9H2,1H3,(H,18,19)

03Stereochemistry

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

Defined stereocentres02D structure
Unassigned stereocentres12D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 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.

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.

04Possible N-nitroso structures

A record-level structural review indicates a possible N-nitroso candidate. This is not a confirmed impurity, formation prediction or analytical finding.

Possible structure candidateUnconfirmed identity
Possible N-nitroso structural candidate related to Zolmitriptan Related Compound A / Zolmitriptan EP Impurity G / Zolmitriptan-N-Desmethyl, CAS 139264-35-0
No CAS number, formation claim or analytical confirmation is assigned.

A structural result alone does not establish that a nitrosamine forms. A process-specific and analytical assessment is required.

05India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 139264-35-0 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 139264-35-0 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

06Names and relationships

Associated parent compound

Zolmitriptan

View API and impurity family

Other names

  • Zolmitriptan EP Impurity G
  • Zolmitriptan Related Compound A
  • Zolmitriptan-N-Desmethyl

Related records from the same parent family

07Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

08Sources