Identidade
N,N-Dimethyl-5-[[[2-[[1-(methylthio)-2-nitroethenyl]amino]ethyl]thio]methyl]-2-furanmethanamine
CAS 72115-14-1 · C13H21N3O3S2
01Identidade
| ID LazyChem | LC-22857 |
|---|---|
| CAS RN | 72115-14-1 |
| PubChem CID | 53427435 |
| Fórmula molecular | C13H21N3O3S2 |
| Massa molecular | 331.45 g/mol |
| Nome IUPAC | N,N-Dimethyl-5-[[[2-[[1-(methylthio)-2-nitroethenyl]amino]ethyl]thio]methyl]-2-furanmethanamine |
| InChIKey | AOAHQGSFXWFCFB-UHFFFAOYSA-N |
02Estrutura e estereoquímica
Estrutura 2DPubChem CID 53427435
![Estrutura 2D: N,N-Dimethyl-5-[[[2-[[1-(methylthio)-2-nitroethenyl]amino]ethyl]thio]methyl]-2-furanmethanamine, CAS 72115-14-1](/structures/pubchem/53427435/72115-14-1-n-n-dimethyl-5-2-1-methylthio-2-nitroethenyl-amino-ethyl-thio-methyl-2-furanmethanamine-2d-structure-900.png)
| Fórmula molecular | C13H21N3O3S2 |
|---|---|
| InChIKey | AOAHQGSFXWFCFB-UHFFFAOYSA-N |
| Número de anéis | 1 |
| Estereocentros definidos | 0 |
| Estereocentros não atribuídos | 0 |
| SMILES | CN(C)CC1=CC=C(O1)CSCCNC(=C[N+](=O)[O-])SC |
|---|---|
| InChI | InChI=1S/C13H21N3O3S2/c1-15(2)8-11-4-5-12(19-11)10-21-7-6-14-13(20-3)9-16(17)18/h4-5,9,14H,6-8,10H2,1-3H3 |
03Estado na Índia
Apenas o composto exato é comparado com os identificadores publicados. Confirme o instrumento oficial atual antes de tomar uma decisão regulamentar.
04Nomes e relações
API e fármaco de origem
Ranitidine
Impurezas e compostos relacionadosNomes e relações
- (E)-N-[2-[[[5-[(Dimethylamino)methyl]-2-furyl]methyl]sulfanyl]ethyl]-1-(methylsulfanyl)-2-nitro-1-ethenamine
- N-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitroethenamine
- 1-[2-(5-Dimethylaminomethyl-2-furanyl)methylthio]ethylamino]-1-methylthio-2-nitroethene
- AOAHQGSFXWFCFB-UHFFFAOYSA-N
- 2-Furanmethanamine, N,N-dimethyl-5-[[[2-[[1-(methylthio)-2-nitroethenyl]amino]ethyl]thio]methyl]-
- N-[2-[[5-[(dimethylamino)methyl]-2-furyl]methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitro-ethenamine
- 1-(methylthio)-1-[2-[[[5-(dimethylamino) methyl-2-furanyl]methyl]thio]ethylamino]2-nitroethene
- 1-Nitro-2-methylthio-2-{2-[(5-dimethylaminomethyl-2-furyl)methylthio]ethylamino}ethylene
05Fontes
- S01PubChem CID 53427435
Estrutura e identificadores químicos legíveis por máquina.
