Chemical identity

Zolmitriptan EP Impurity H (Free Base)

CAS 2518343-21-8 · C16H19N3O2

01Identity

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

Lazychem IDLC-31109
PubChem CID155929070
NameZolmitriptan EP Impurity H (Free Base)
CAS RN2518343-21-8
Molecular formulaC16H19N3O2
Molecular weight285.34 g/mol
IUPAC name(4S)-4-[(2-Methyl-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indol-6-yl)methyl]-1,3-oxazolidin-2-one
InChIKeyLYAXZOXNFLQOAA-NSHDSACASA-N

02Structure identifiers

2D structurePubChem CID 155929070
2D structure: Zolmitriptan EP Impurity H (Free Base), CAS 2518343-21-8
Structure of Zolmitriptan EP Impurity H (Free Base) (CAS 2518343-21-8). LazyChem record. Source identity: PubChem CID 155929070. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC16H19N3O2
InChIKeyLYAXZOXNFLQOAA-NSHDSACASA-N
Ring count4
Defined stereocentres1
Unassigned stereocentres0
SMILESCN1CCC2=C(C1)NC3=C2C=C(C=C3)C[C@H]4COC(=O)N4
InChIInChI=1S/C16H19N3O2/c1-19-5-4-12-13-7-10(6-11-9-21-16(20)17-11)2-3-14(13)18-15(12)8-19/h2-3,7,11,18H,4-6,8-9H2,1H3,(H,17,20)/t11-/m0/s1

03Stereochemistry

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

Defined stereocentres12D structure
Unassigned stereocentres02D structure
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.

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 EP Impurity H (Free Base), CAS 2518343-21-8
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 2518343-21-8 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 2518343-21-8 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

  • ?-Carboline Zolmitriptan

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