2D structurePubChem CID 135565884
Identità
Zanubrutinib
Non indicato · C27H29N5O3
01Identità
| Lazychem ID | LC-54893 |
|---|---|
| CAS RN | Non indicato |
| PubChem CID | 135565884 |
| Molecular formula | C27H29N5O3 |
| Molecular weight | 471.5 g/mol |
| IUPAC name | (7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide |
| InChIKey | RNOAOAWBMHREKO-QFIPXVFZSA-N |
02Struttura e stereochimica
2D structurePubChem CID 135565884
The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Ring count | 5 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| SMILES | C=CC(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N |
|---|---|
| InChI | Non indicato |
03Stereochemistry
The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
2 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 137071299
(R)-Zanubrutinib/ Zanubrutinib Impurity-04
CAS 1691249-44-1
RNOAOAWBMHREKO-JOCHJYFZSA-N
1 defined, 0 unassigned centres
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.
04Stato in India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nomi e relazioni
API e farmaco progenitore
Non indicato
Nomi e relazioni
06Fonti
- S01PubChem CID 135565884
Structure and machine-readable chemical identifiers.