Vincantril
Basic information
- CAS
65285-58-7- Standard SMILES
O=C1CCC2NCCc3c2n1c1ccc(Cl)cc31- InChIKey
KJRKCWPQTXNNOM-UHFFFAOYSA-N- Molecular formula
- C14H13ClN2O
- Average molar mass
- 260.72 g/mol
- Monoisotopic mass
- 260.0716407
Names & identifiers
- Preferred name
- Vincantril
- IUPAC
- 12-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-one
- English name
- Vincantril
- Molecular formula
- C14H13ClN2O
- Molecular weight
- 260.72
Names & synonyms
VincantrilVincantril [INN]VincantriloVincantrilum65285-58-7Vincantrilum [INN-Latin]Vincantrilo [INN-Spanish]S0KXB0NKWNUNII-S0KXB0NKWN(RS)-10-Chlor-2,3,3a,4,5,6-hexahydro-1H-indolo(3.2.1-de)(1,5)naphthyridin-6-on10-Chloro-1,2,3,3a,4,5-hexahydro-6H-indolo(3,2,1-de)(1,5)naphthyridin-6-one10-chloro-1,2,3,3a,4,5-hexahydro-6h-indolo[3,2,1-de][1,5]naphthyridin-6-one
Show more names
6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one, 10-chloro-1,2,3,3a,4,5-hexahydro-
Vincantrilum (INN-Latin)Vincantrilo (INN-Spanish)6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one, 1,2,3,3a,4,5-hexahydro-10-chloro-RefChem:19426612-chloro-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraen-2-oneorb2814722SCHEMBL2734148CHEMBL2105586
Database identifiers
- CAS
65285-58-7- PubChem CID
- 68854
- DTXSID
DTXSID20867132- ChEMBL
CHEMBL2105586- UNII
- S0KXB0NKWN
- Nikkaji
- J23.278E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- FDA UNII
- 0 KXB0NKWN · S0KXB0NKWN
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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