Chemical identity

Alectinib M4 Metabolite

CAS 1256585-04-2 · C₂₈H₃₂N₄O₂

01Identity

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

Lazychem IDLC-05357
PubChem CID66835300
NameAlectinib M4 Metabolite
CAS RN1256585-04-2
Molecular formulaC₂₈H₃₂N₄O₂
Molecular weight456.58 g/mol
IUPAC name9-ethyl-8-(4-((2-hydroxyethyl)amino)piperidin-1-yl)-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
InChIKeyXNKBNGIKXNABDO-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 66835300
2D structure: Alectinib M4 Metabolite, CAS 1256585-04-2
Structure of Alectinib M4 Metabolite (CAS 1256585-04-2). LazyChem record. Source identity: PubChem CID 66835300. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC₂₈H₃₂N₄O₂
InChIKeyXNKBNGIKXNABDO-UHFFFAOYSA-N
Ring count5
Defined stereocentres0
Unassigned stereocentres0
SMILESCCC1=CC2=C(C=C1N3CCC(CC3)NCCO)C(C4=C(C2=O)C5=C(N4)C=C(C=C5)C#N)(C)C
InChIInChI=1S/C28H32N4O2/c1-4-18-14-21-22(15-24(18)32-10-7-19(8-11-32)30-9-12-33)28(2,3)27-25(26(21)34)20-6-5-17(16-29)13-23(20)31-27/h5-6,13-15,19,30-31,33H,4,7-12H2,1-3H3

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 Alectinib M4 Metabolite, CAS 1256585-04-2
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 1256585-04-2 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 1256585-04-2 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Alectinib

View API and impurity family

Other names

  • 5H-Benzo(b)carbazole-3-carbonitrile, 9-ethyl-6,11-dihydro-8-(4-((2-hydroxyethyl)amino)-1-piperidinyl)-6,6-dimethyl-11-oxo-
  • Alcetinib metabolite M4
  • UNII-6L7WLR552I
  • 9-ethyl-8-[4-(2-hydroxyethylamino)piperidin-1-yl]-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
  • 9-Ethyl-6,11-dihydro-8-(4-((2-hydroxyethyl)amino)-1-piperidinyl)-6,6-dimethyl-11-oxo-5H-benzo(b)carbazole-3-carbonitrile

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