Chemical identity

Sumatriptan Dimer Impurity

CAS 2144776-39-4 · C25H33N5O4S2

01Identity

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

Lazychem IDLC-28648
PubChem CID169438957
NameSumatriptan Dimer Impurity
CAS RN2144776-39-4
Molecular formulaC25H33N5O4S2
Molecular weight531.7 g/mol
IUPAC name1-(3-(2-(dimethylamino)ethyl)-2-((5-((N-methylsulfamoyl)methyl)-1H-indol-3-yl)methyl)-1H-indol-5-yl)-N-methylmethanesulfonamide
InChIKeySZJAPOYVESASQE-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 169438957
2D structure: Sumatriptan Dimer Impurity, CAS 2144776-39-4
Structure of Sumatriptan Dimer Impurity (CAS 2144776-39-4). LazyChem record. Source identity: PubChem CID 169438957. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC25H33N5O4S2
InChIKeySZJAPOYVESASQE-UHFFFAOYSA-N
Ring count4
Defined stereocentres0
Unassigned stereocentres0
SMILESO=S(CC1=CC2=C(NC(CC3=CNC4=C3C=C(CS(=O)(NC)=O)C=C4)=C2CCN(C)C)C=C1)(NC)=O
InChIInChI=1S/C25H33N5O4S2/c1-26-35(31,32)15-17-5-7-23-21(11-17)19(14-28-23)13-25-20(9-10-30(3)4)22-12-18(6-8-24(22)29-25)16-36(33,34)27-2/h5-8,11-12,14,26-29H,9-10,13,15-16H2,1-4H3

03Possible 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 Sumatriptan Dimer Impurity, CAS 2144776-39-4
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.

04India 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 2144776-39-4 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 2144776-39-4 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Sumatriptan

View API and impurity family

Other names

No synonyms are listed.

Related records from the same parent family

06Documented 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.

07Sources