2D structurePubChem CID 5284633
Identitate
Valsartan, D-
Nu este indicat · C24H29N5O3
01Identitate
| Lazychem ID | LC-49042 |
|---|---|
| CAS RN | Nu este indicat |
| PubChem CID | 5284633 |
| Molecular formula | C24H29N5O3 |
| Molecular weight | 435.5 g/mol |
| IUPAC name | (2R)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid |
| InChIKey | ACWBQPMHZXGDFX-JOCHJYFZSA-N |
02Structură și stereochimie
2D structurePubChem CID 5284633
The parsed structure contains 3 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 | 3 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@H](C(C)C)C(=O)O |
|---|---|
| InChI | Nu este indicat |
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
3 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 60846
2D structurePubChem CID 5650
Valsartan EP Impurity A/ Valsartan Related Compound A/ Valsartan R-Isomer/ (R)-Valsartan/ ent-Valsartan (Free Base)
CAS 137862-87-4
ACWBQPMHZXGDFX-UHFFFAOYSA-N
0 defined, 1 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.
04Statut în India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Denumiri și relații
API și medicament părinte
Nu este indicat
Denumiri și relații
06Surse
- S01PubChem CID 5284633
Structure and machine-readable chemical identifiers.