Basic information
- CAS
50280-01-8- Standard SMILES
C[NH+]1CCc2c(c3cc4c(cc3n2C(=O)c2cccs2)OCO4)C1.[Cl-]- InChIKey
FBXHOFYRBKWOTJ-UHFFFAOYSA-N- Molecular formula
- C18H17ClN2O3S
- Average molar mass
- 376.9 g/mol
- Monoisotopic mass
- 376.0648413
Names & identifiers
- Preferred name
- 5H-1,3-Dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(2-thenoyl)-8-methyl-, monohydrochloride
- IUPAC
- (4-methyl-12,14-dioxa-8-aza-4-azoniatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),9,11(15)-tetraen-8-yl)-thiophen-2-ylmethanone chloride
Names & synonyms
5H-1,3-Dioxolo(4,5-f)pyrido(4,3-b)indole, 6,7,8,9-tetrahydro-5-(2-thenoyl)-8-methyl-, monohydrochloride50280-01-8RefChem:10733956,7,8,9-Tetrahydro-5-(2-thenoyl)-8-methyl-5H-1,3-dioxolo(4,5-f)pyrido(4,3-b)indole HCl
Database identifiers
- CAS
50280-01-8- PubChem CID
- 39582
Properties
Computed structural properties
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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