8-chlororugulovasine b
-
Formula: C16H15ClN2O2
-
Molecular weight: 302.75
-
Smiles: CC1=CC2(C(CC3=CNC4=C(C=CC2=C34)Cl)NC)OC1=O
8-chlororugulovasine b
Names
-
Mycotoxin name: 8-chlororugulovasine b
-
First synonym: 8-chlororugulovasine b
-
Synonyms: 8-Chlororugulovasine B,59787-46-1,DTXSID30975196,Q27290847,UNII-U88MC9AU1M component SDYOUVJWVNBXPX-MLGOLLRUSA-N,8-Chloro-4'-methyl-4-(methylamino)-3,4-dihydro-1H,5'H-spiro[benzo[cd]indole-5,2'-furan]-5'-one,Spiro(benz(cd)indole-5(1H),2'(5'H)-furan)-5'-one, 8-chloro-3,4-dihydro-4'-methyl-4-(phenylamino)-, trans-(+-)-
Identifiers / External links
-
CAS: 59787-46-1
-
PubChem CID: 162891
-
ChemSpiderID: 143001
-
US FDA (UNII): UNII-U88MC9AU1M
-
Wikidata (wiki): Q27290847
-
Chemical Entities of Biological Interest (CHEBI): CHEBI:222559
-
CompTox Chemicals Dashboard (DTXSID): DTXSID30975196
Structure
-
Smiles: CC1=CC2(C(CC3=CNC4=C(C=CC2=C34)Cl)NC)OC1=O
-
Isomeric smiles: CC1=C[C@@]2([C@@H](CC3=CNC4=C(C=CC2=C34)Cl)NC)OC1=O
-
Inchi: InChI=1S/C16H15ClN2O2/c1-8-6-16(21-15(8)20)10-3-4-11(17)14-13(10)9(7-19-14)5-12(16)18-2/h3-4,6-7,12,18-19H,5H2,1-2H3/t12-,16-/m1/s1
-
Inchikey: SDYOUVJWVNBXPX-MLGOLLRUSA-N
-
2D structure:
-
3D structure:
Physico-chemical properties
-
Formula: C16H15ClN2O2
-
Molecular weight: 302.75
-
Monoisotopic mass: 302.0822054
Select an endpoint:
| Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Category | Sub category | Endpoint | Tool | QSAR ID | Value | Unit | Comments | Reference |
|---|
Select an endpoint:
| Endpoint | Tool | Value | Unit | Comments | Reference |
|---|
Fungi
-
Fungi id Species 834 Penicillium islandicum