2D structurePubChem CID 2557
Identità
Carbazochrome
CAS 69-81-8 · C10H12N4O3
01Identità
| Lazychem ID | LC-100749 |
|---|---|
| CAS RN | 69-81-8 |
| PubChem CID | 2557 |
| Molecular formula | C10H12N4O3 |
| Molecular weight | 236.23 g/mol |
| IUPAC name | (3,6-dihydroxy-1-methyl-2,3-dihydroindol-5-yl)iminourea |
| InChIKey | SSCSSDNTQJGTJT-UHFFFAOYSA-N |
02Struttura e stereochimica
2D structurePubChem CID 2557
The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.
| Defined stereocentres | 0 |
|---|---|
| Ring count | 2 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | CN1CC(C2=CC(=C(C=C21)O)N=NC(=O)N)O |
|---|---|
| InChI | Non indicato |
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
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.
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
- carbazochrome
- 69-81-8
- Adrenochrome semicarbazone
- Adrenostazin
- Adedolon
- Carbazochrom
- Adchnon
- Adrenochrome monosemicarbazone
- 2-(3-Hydroxy-1-methyl-6-oxo-2,3-dihydro-1H-indol-5(6H)-ylidene)hydrazinecarboxamide
- Cromadrenal
- Sangostasin
- Sangostazin
06Fonti
- S01PubChem CID 2557
Structure and machine-readable chemical identifiers.