Basic information
- CAS
107266-08-0- Standard SMILES
Fc1ccc2[nH]c3c(c2c1)CN(CCc1ccncc1)CC3- InChIKey
PMXOASNGMJAYTN-UHFFFAOYSA-N- Molecular formula
- C18H18FN3
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.14847575
Overview
Carvotroline is a small molecule drug. Carvotroline has a monoisotopic molecular weight of 295.15 Da.
Names & identifiers
- Preferred name
- Carvotroline
- IUPAC
- 8-fluoro-2-(2-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
- English name
- Carvotroline
- Molecular formula
- C18H18FN3
- Molecular weight
- 295.359
Names & synonyms
Carvotroline107266-08-0carvotrolinaWy-477911Q63WWP8G5DTXSID101479901H-Pyrido(4,3-b)indole, 8-fluoro-2,3,4,5-tetrahydro-2-(2-(4-pyridinyl)ethyl)-carvotrolinumRefChem:123850DTXCID6070481Carvotroline [INN]8-fluoro-2-(2-pyridin-4-ylethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
Show more names
CHEMBL1743952UNII-1Q63WWP8G5CARVOTROLINE [WHO-DD]SCHEMBL350602CHEMBL300443SCHEMBL29710918PMXOASNGMJAYTN-UHFFFAOYSA-NEX-A9278
Database identifiers
- CAS
107266-08-0- PubChem CID
- 72038
- DTXSID
DTXSID10147990- ChEMBL
CHEMBL300443- UNII
- 1Q63WWP8G5
- Nikkaji
- J550.679D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 31.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- FDA UNII
- 1 Q63WWP8G5 · 1Q63WWP8G5
Chemistry & industry
Applications
UsesAntipsychotic.
Suppliers1 total
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Related reactions
1 records
Compound notes
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