2D structurePubChem CID 49769085
Identità
BTZ043 Racemate
Mhux elenkat · C17H16F3N3O5S
01Identità
| Lazychem ID | LC-59255 |
|---|---|
| CAS RN | Mhux elenkat |
| PubChem CID | 49769085 |
| Molecular formula | C17H16F3N3O5S |
| Molecular weight | 431.4 g/mol |
| IUPAC name | 2-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-8-nitro-6-(trifluoromethyl)-1,3-benzothiazin-4-one |
| InChIKey | GTUIRORNXIOHQR-UHFFFAOYSA-N |
02Struttura u stereokimika
2D structurePubChem CID 49769085
| SMILES | CC1COC2(O1)CCN(CC2)C3=NC(=O)C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-] |
|---|---|
| InChI | Mhux elenkat |
03Stereochemistry
The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact 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 42609849
2-((2S)-2-Methyl-1,4-dioxa-8-azaspiro(4.5)dec-8-yl)-8-nitro-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one
CAS not listed
GTUIRORNXIOHQR-VIFPVBQESA-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.
04Status fl-Indja
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ismijiet u relazzjonijiet
API u mediċina prinċipali
Mhux elenkat
Ismijiet u relazzjonijiet
06Sorsi
- S01PubChem CID 49769085
Structure and machine-readable chemical identifiers.