Chemical identity

Ibrutinib Deacryloylpiperidine

CAS 330786-24-8 · C17H13N5O

01Identity

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

Lazychem IDLC-16861
PubChem CID22346757
NameIbrutinib Deacryloylpiperidine
CAS RN330786-24-8
Molecular formulaC17H13N5O
Molecular weight303.33 g/mol
IUPAC name3-(4-Phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
InChIKeyYYVUOZULIDAKRN-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 22346757
2D structure: Ibrutinib Deacryloylpiperidine, CAS 330786-24-8
Structure of Ibrutinib Deacryloylpiperidine (CAS 330786-24-8). LazyChem record. Source identity: PubChem CID 22346757. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC17H13N5O
InChIKeyYYVUOZULIDAKRN-UHFFFAOYSA-N
Ring count4
Defined stereocentres0
Unassigned stereocentres0
SMILESC1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C4C(=NC=NC4=NN3)N
InChIInChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H3,18,19,20,21,22)

03India 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 330786-24-8 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 330786-24-8 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

04Names and relationships

Associated parent compound

Ibrutinib

View API and impurity family

Other names

  • Ibrutinib Impurity 8
  • 3-[4-phenoxyphenyl]pyrazole
  • 1H-Pyrazolo(3,4-d)pyrimidin-4-amine, 3-(4-phenoxyphenyl)

Related records from the same parent family

05Documented 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.

06Sources