Compound: 16502-01-5
SMILES: N1Cc2[nH]c3ccccc3c2CC1
InChIKey: CFTOTSJVQRFXOF-UHFFFAOYSA-N
Synonyms: 16502-01-5, Tryptoline, 2,3,4,9-tetrahydro-1H-Pyrido[3,4-b]indole, Tetrahydronorharmane, Tetrahydro-beta-carboline, Triptoline, DTXSID10167835, 65027TMI0H, 9H-1,2,3,4-Tetrahydropyrido(3,4-b)indole, 2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indole, RefChem:900687, DTXCID6090326, THbetaC, Noreleagnine, 1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole, 1,2,3,4-Tetrahydro-beta-carboline, Tetrahydronorharman, MFCD00004954, 1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-, THBC, 1H,2H,3H,4H,9H-Pyrido[3,4-B]Indole, Tetrahydro-|A-carboline, 2,3,4,9-tetrahydro-1H-beta-carboline, MLS000069483, CHEMBL269236, SMR000059115, 1,2,3,4-tetrahydro-9H-pyrido(3,4-B)indole, 2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, 1,2,3,4-Tetrahydro-b-carboline, 1,2,3,4-tetrahydrobeta-carboline, UNII-65027TMI0H, Tetrahydro-b, WYH, Tetrahydro-?-carboline, Spectrum_000575, Opera_ID_234, SpecPlus_000545, tetrahydro beta-carboline, Spectrum2_001379, Spectrum3_001413, Spectrum4_001858, Spectrum5_000396, Oprea1_032098, BSPBio_003086, KBioGR_002297, KBioSS_001055, MLS001076332, MLS001424178, BIDD:GT0403, DivK1c_006641, SCHEMBL103312, SCHEMBL103313, SCHEMBL171755, SCHEMBL219333, SCHEMBL223499, SCHEMBL615402, SPBio_001338, 1,2,3,4-tetrahydronorharmane, orb3031602, SCHEMBL1201574, SCHEMBL1201575, SCHEMBL2072294, SCHEMBL2072296, SCHEMBL9117024, SCHEMBL14745437, SCHEMBL29350043, CHEBI:92568, KBio1_001585, KBio2_001055, KBio2_003623, KBio2_006191, KBio3_002306, HMS2052A05, HMS2235E21, HMS3370D07, HMS3394A05, 1,2,3,4-Tetrahydro-?-carboline, Fr12161, TETRAHYDRO-.BETA.-CARBOLINE, ALBB-007680, CS-B1035, Tetrahydro-|A-carboline (Standard), BDBM50130262, CCG-38855, EBC-47289, HY-20696R, SBB048967, STK501720, AKOS004119465, FT52309, NC00329, 2,3,4,9-Tetrahydro-1H-beta-carbolin, NCGC00018148-01, NCGC00018148-02, NCGC00018148-03, NCGC00018148-04, NCGC00018148-07, NCGC00023426-03, AC-17176, DS-16389, HY-20696, SY007926, 1,2,3,4-tetrahydropyrido[3,4-b]indole, 2,3,4,9-Tetrahydro-1H-I(2)-carboline, DB-043608, NS00015334, ST50947377, EN300-114870, 1,2,3,4-Tetrahydro-9H-pyrido [3,4-b]indole, 1,2,3,4-tetrahydro-9H-pyrido-[3,4-b]indole, 1,2,3,4Tetrahydro-9H-pyrido [3,4-b] indole, 1,2,3,4-Tetrahydro-9H-pyrido [3,4-b] indole, 2,3,4,9-TETRAHYDRO-1H-.BETA.-CARBOLINE, 9H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-, F216506, SR-01000000048, 1, 2, 3, 4-tetrahydro-9H-pyrido[3, 4-b]indole, Q7848801, SR-01000000048-4, 1,2,3,4-Tetrahydro-9H-pyrido[3,4-b]indole, 98%, F2113-0962, 1 pound not2 pound not3 pound not4-Tetrahydro-|A-carboline, InChI=1/C11H12N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-4,12-13H,5-7H
Theoretical properties:
molecular_formula: C11H12N2
molecular_weight: 172.23 g/mol
exact_mass: 172.100048391 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 0
heavy_atom_count: 13
topological_polar_surface_area: 27.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: >25.8 [ug/mL] (The mean of the results at pH 7.4)
Descriptions:
pubchem: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is a member of beta-carbolines.
chembl: TRYPTOLINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Tryptoline, also known as 1,2,3,4-tetrahydro-β-carboline (THβC) and tetrahydronorharmane (THN), is a natural organic derivative of β-carboline. It is an alkaloid chemically related to tryptamines. Derivatives of tryptoline have a variety of pharmacological properties and are known collectively as tryptolines.