Basic information
- CAS
136777-43-0- Standard SMILES
Cl.Fc1ccc2[nH]c3c(c2c1)CN(CCc1ccncc1)CC3- InChIKey
CYAQJBUCOCJWET-UHFFFAOYSA-N- Molecular formula
- C18H19ClFN3
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.1251535
Overview
See also: Carvotroline (has active moiety).
Names & identifiers
- Preferred name
- Carvotroline Hydrochloride
- IUPAC
- 8-fluoro-2-(2-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
Names & synonyms
Carvotroline Hydrochloride136777-43-0WY-47791 HCLOGU53DND3MDTXSID00159926RefChem:123852DTXCID3082417Carvotroline hydrochloride [USAN]8-Fluoro-2-(2-(pyridin-4-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochlorideCarvotroline hydrochloride (USAN)Carvotroline HCl8-fluoro-2-(2-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole;hydrochloride
Show more names
CHEMBL17439521H-Pyrido(4,3-b)indole, 8-fluoro-2,3,4,5-tetrahydro-2-(2-(4-pyridinyl)ethyl)-, monohydrochlorideUNII-OGU53DND3M8-Fluoro-2,3,4,5-tetrahydro-2-(2-(4-pyridyl)ethyl)-1H-pyrido(4,3-b)indole monohydrochloride8-Fluoro-2,3,4,5-tetrahydro-2-[2-(4-pyridyl)ethyl]-1H-pyrido[4,3-b]indole monohydrochlorideSCHEMBL123737orb3236902EX-A9278A
Database identifiers
- CAS
136777-43-0- PubChem CID
- 72037
- DTXSID
DTXSID00159926- ChEMBL
CHEMBL1743952- UNII
- OGU53DND3M
Properties
Computed structural properties
- Topological polar surface area
- 31.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 371
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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