Chemical identity

N-Methyl-1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-ethanesulfonamide

CAS 894351-86-1 · C24H29N3O2S

01Identity

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

Lazychem IDLC-21344
PubChem CID29983971
NameN-Methyl-1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-ethanesulfonamide
CAS RN894351-86-1
Molecular formulaC24H29N3O2S
Molecular weight423.57 g/mol
IUPAC nameN-Methyl-1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-ethanesulfonamide
InChIKeyUILVSZGMQVBENV-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 29983971
2D structure: N-Methyl-1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-ethanesulfonamide, CAS 894351-86-1
Structure of N-Methyl-1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-ethanesulfonamide (CAS 894351-86-1). LazyChem record. Source identity: PubChem CID 29983971. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC24H29N3O2S
InChIKeyUILVSZGMQVBENV-UHFFFAOYSA-N
Ring count4
Defined stereocentres0
Unassigned stereocentres0
SMILESO=S(CCC1=CC=C2C(C(C3=CCN(C)CC3)=CN2CC4=CC=CC=C4)=C1)(NC)=O
InChIInChI=1S/C24H29N3O2S/c1-25-30(28,29)15-12-19-8-9-24-22(16-19)23(21-10-13-26(2)14-11-21)18-27(24)17-20-6-4-3-5-7-20/h3-10,16,18,25H,11-15,17H2,1-2H3

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 N-Methyl-1-(phenylmethyl)-3-(1,2,3,6-tetrahydro-1-methyl-4-pyridinyl)-1H-indole-5-ethanesulfonamide, CAS 894351-86-1
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 894351-86-1 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 894351-86-1 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Naratriptan

View API and impurity family

Other names

  • 1H-Indole-5-ethanesulfonamide, N-methyl-1-(phenylmethyl)-3-(1, 2, 3, 6-tetrahydro-1-methyl-4-pyridinyl)-
  • 2-(1-Benzyl-3-(1-methyl-1, 2, 3, 6-tetrahydropyridin-4-yl)-1H-indol-5-yl)-N-methylethane-1-sulfonamide

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