2D structurePubChem CID 446727
Tożsamość
Brivudine
CAS 69304-47-8 · C11H13BrN2O5
01Tożsamość
| Lazychem ID | LC-100643 |
|---|---|
| CAS RN | 69304-47-8 |
| PubChem CID | 446727 |
| Molecular formula | C11H13BrN2O5 |
| Molecular weight | 333.13 g/mol |
| IUPAC name | 5-[(E)-2-bromoethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione |
| InChIKey | ODZBBRURCPAEIQ-PIXDULNESA-N |
02Struktura i stereochemia
2D structurePubChem CID 446727
The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 3 |
|---|---|
| Ring count | 2 |
| Secondary amines | 0 |
| Tertiary amines | 0 |
| SMILES | C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Br)CO)O |
|---|---|
| InChI | Nie podano |
03Stereochemistry
The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction
Published same-connectivity configurations
4 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 6481583
(Z)-5-(2-bromovinyl)-2'-deoxyuridine
CAS not listed
ODZBBRURCPAEIQ-IWMFZOCNSA-N
3 defined, 0 unassigned centres
2D structurePubChem CID 25323027
2D structurePubChem CID 6479192
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.
04Status w Indiach
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Nazwy i powiązania
API i lek macierzysty
Nie podano
Nazwy i powiązania
- Brivudine
- 69304-47-8
- BVDU
- (E)-5-(2-Bromovinyl)-2'-deoxyuridine
- Brivudin
- Helpin
- Zostex
- Brivudina
- Brivudinum
- (E)-5-(2-Bromovinyl)-deoxyuridine
- DTXSID0045755
- RP101
06Źródła
- S01PubChem CID 446727
Structure and machine-readable chemical identifiers.