2D structurePubChem CID 60947
Identidad
Tirofiban
CAS 144494-65-5 · C22H36N2O5S
01Identidad
| Lazychem ID | LC-101158 |
|---|---|
| CAS RN | 144494-65-5 |
| PubChem CID | 60947 |
| Molecular formula | C22H36N2O5S |
| Molecular weight | 440.6 g/mol |
| IUPAC name | (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid |
| InChIKey | COKMIXFXJJXBQG-NRFANRHFSA-N |
02Estructura y estereoquímica
2D structurePubChem CID 60947
The parsed structure contains 2 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 | 2 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| SMILES | CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O |
|---|---|
| InChI | No indicado |
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
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
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.
04Estado en India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nombres y relaciones
API y fármaco de origen
No indicado
Nombres y relaciones
- tirofiban
- 144494-65-5
- Agrastat
- tirofibanum
- N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine
- (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
- GGX234SI5H
- MK-383
- CHEBI:9605
- L-700462
- DTXSID20162730
- (2S)-2-(butane-1-sulfonamido)-3-{4-[4-(piperidin-4-yl)butoxy]phenyl}propanoic acid
06Fuentes
- S01PubChem CID 60947
Structure and machine-readable chemical identifiers.