8-Fluoro-α,5-bis(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-butanol Hydrochloride - CAS 58038-94-1
Catalog: |
BB073189 |
Product Name: |
8-Fluoro-α,5-bis(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-butanol Hydrochloride |
CAS: |
58038-94-1 |
Synonyms: |
4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol; hydrochloride; 4-(8-Fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)-1-(4-fluorophenyl)butan-1-ol hydrochloride; flutroline hydrochloride; 2H-Pyrido(4,3-b)indole-2-butanol, 8-fluoro-alpha,5-bis(4-fluorophenyl)-1,3,4,5-tetrahydro-, hydrocloride (1:1); 4-[8-Fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol--hydrogen chloride (1/1) |
IUPAC Name: | 4-[8-fluoro-5-(4-fluorophenyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-olhydrochloride |
Molecular Weight: | 450.49 + 36.46 |
Molecular Formula: | C27H25F3N2O·HCl |
Canonical SMILES: | C1CN(CC2=C1N(C3=C2C=C(C=C3)F)C4=CC=C(C=C4)F)CCCC(C5=CC=C(C=C5)F)O.Cl |
InChI: | InChI=1S/C27H25F3N2O.ClH/c28-19-5-3-18(4-6-19)27(33)2-1-14-31-15-13-26-24(17-31)23-16-21(30)9-12-25(23)32(26)22-10-7-20(29)8-11-22/h3-12,16,27,33H,1-2,13-15,17H21H |
InChI Key: | TUYIGXGOSXBZRT-UHFFFAOYSA-N |
Complexity: | 623 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 486.1685756 |
Formal Charge: | 0 |
Heavy Atom Count: | 34 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 486.1685756 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 28.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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