Molecular Details

DICL_CP_0322774 - 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0322774

PubChem CID

3696

Molecular Formula

C₁₉H₂₄N₂

Molecular Weight

280.415 g/mol

Synonyms/Alias

[imipramine; 50-49-7; Melipramine; Antideprin; Berkomine; Imidobenzyle; Dimipressin; Melipramin; Dynaprin; Intalpram; Nelipramin; Timolet; Irmin; Dpid; Dyna-zina; Tofranil; Impramine; Censtim; Censtin...[imipramine; 50-49-7; Melipramine; Antideprin; Berkomine; Imidobenzyle; Dimipressin; Melipramin; Dynaprin; Intalpram; Nelipramin; Timolet; Irmin; Dpid; Dyna-zina; Tofranil; Impramine; Censtim; Censtin; Imiprin; Promiben; Iramil; Janimine; Imipramina; Imipraminum; Declomipramine; Eupramin; Imipramin; 3-(10;11-dihydro-5H-dibenzo[b;f]azepin-5-yl)-N;N-dimethylpropan-1-amine; Imizine; Surplix; Imizin; Tofranil; base; Psychoforin; Imavate; Cristalia; Sermonil; N-(gamma-Dimethylaminopropyl)iminodibenzyl; N-(3-Dimethylaminopropyl)-o-iminodibenzyl; 2;2-(3-Dimethylaminopropylimino)bibenzyl; 2;2-(3-Dimethylaminopropylimino)dibenzyl; Imipraminum [INN-Latin]; Imipramina [INN-Spanish]; Imizinum; Tofranil (free base); SK-Pramine; CCRIS 9173; NSC 169866; HSDB 3100; 1-(3-Dimethylaminopropyl)-4;5-dihydro-2;3;6;7-dibenzazepine; UNII-OGG85SX4E4; 5-(3-(Dimethylamino)propyl)-10;11-dihydro-5H-dibenz(b;f)azepine; EINECS 200-042-1; OGG85SX4E4; Imipramine (INN); NSC-169866; BRN 0256892; 5;6-Dihydro-N-(3-(dimethylamino)propyl)-11H-dibenz(b;e)azepine; 5-(3-Dimethylaminopropyl)-10;11-dihydro-5H-dibenzo(b;f)azepine; DTXSID1043881; CHEBI:47499; 5H-Dibenz(b;f)azepine-5-propanamine; 10;11-dihydro-N;N-dimethyl-; 3-(5;6-dihydrobenzo[b][1]benzazepin-11-yl)-N;N-dimethylpropan-1-amine; ORG-2463; CHEMBL11; 10;11-Dihydro-N;N-dimethyl-5H-dibenz[b;f]azepine-5-propanamine; 5H-Dibenz(b;f)azepine; 10;11-dihydro-5-(3-(dimethylamino)propyl)-; N-(.gamma.-Dimethylaminopropyl)iminodibenzyl; DTXCID9023881; 5;e)azepine; 5;e]azepine; 5H-Dibenz(b;f)azepine; 5-(3-(dimethylamino)propyl)-10;11-dihydro-; NSC169866; NCGC00015563-07; Imipramina [Italian]; IMIPRAMINE [INN]; Tofranil (TN); 10;11-Dihydro-5-(3-(dimethylamino)propyl)-5H-dibenz[b;f]azepine; 3-(5H-DIBENZO[B;F]AZEPIN-5-YL)-N;N-DIMETHYLPROPAN-1-AMINE; 5H-Dibenz[b;f]azepine-5-propanamine; 10;11-dihydro-N;N-dimethyl-; Imipraminum (INN-Latin); Imipramina (INN-Spanish); Imipramine [INN:BAN]; N;N-Dimethyl-10;11-dihydro-5H-dibenzo[b;f]azepine-5-propanamine-2;8-D2; IMIPRAMINE (MART.); IMIPRAMINE [MART.]; IMIPRAMINE-D3 HYDROCHLORIDE 98 ATOM % D; 2241983-10-6; 3-(10;11-dihydro-5h-dibenz[b;f]azepin-5-yl)propyldimethylamine; 5-[3-(dimethylamino)propyl]-10;11-dihydro-5H-dibenz[b;f]azepine; 3-(10;11-Dihydro-5H-dibenzo[b;f]azepin-5-yl)-N;N-dimethyl-1-propanamine; CAS-50-49-7; 3-(10;11-Dihydro-5H-dibenzo[b;f]azepin-5-yl)-N;N-dimethylpropan-1-amine;3-(10;11-Dihydro-5H-dibenzo[b;f]azepin-5-yl)-N;N-dimethylpropan-1-amine; 3-(5;6-dihydrobenzo[b][1]benzazepin-11-yl)-N;N-dimethyl-propan-1-amine; Janimine (hydrochloride); Tofranil (hydrochloride); CAS-113-52-0; TRIMIPRAMINE MALEATE IMPURITY D (EP IMPURITY); TRIMIPRAMINE MALEATE IMPURITY D [EP IMPURITY]; 5H-Dibenz(b; 5-(3-(dimethylamino)propyl)-10;11-dihydro-; 5H-Dibenz[b; 5-[3-(dimethylamino)propyl]-10;11-dihydro-; Tofranil base; 10;11-dihydro-N;N-dimethyl-5H-dibenz(b;f)azepine-5-propanamine; 3-(5H-DIBENZO(B;F)AZEPIN-5-YL)-N;N-DIMETHYLPROPAN-1-AMINE; 3-(10;11-dihydro-5H-dibenzo(b;f)azepin-5-yl)-N;N-dimethylpropan-1-amine; 5H-Dibenz[b;f]azepine; 5-[3-(dimethylamino)propyl]-10;11-dihydro-; IXX; Imizin (Salt/Mix); Imavate (Salt/Mix); Imizine (Salt/Mix); Surplix (Salt/Mix); Eupramin (Salt/Mix); Imizinum (Salt/Mix); Tofranil (Salt/Mix); Spectrum_000915; IMIPRAMINE [MI]; Psychoforin (Salt/Mix); Prestwick0_000072; Prestwick1_000072; Prestwick2_000072; Prestwick3_000072; SK-Pramine (Salt/Mix); Spectrum2_000990; Spectrum3_000466; Spectrum4_000016; Spectrum5_000864; IMIPRAMINE [HSDB]; Lopac-I-7379; IMIPRAMINE [VANDF]; IMIPRAMINE [WHO-DD]; Lopac0_000702; Oprea1_200908; SCHEMBL34282; BSPBio_000283; BSPBio_002172; GTPL357; KBioGR_000391; KBioSS_001395; BIDD:GT0116; DivK1c_000559; SPBio_001059; SPBio_002204; G-22355 (Salt/Mix); BPBio1_000313; HY-B1490A; KBio1_000559; KBio2_001395; KBio2_003963; KBio2_006531; KBio3_001392; N06AA02; NINDS_000559; HMS2089G08; Tox21_110174; BDBM50010859; CCG-36485; MFCD31699979; STL416211; AKOS016010320; Tox21_110174_1; DB00458; SDCCGSBI-0050680.P005; IDI1_000559; MRF-0000592; NCGC00015563-01; NCGC00015563-02; NCGC00015563-03; NCGC00015563-04; NCGC00015563-05; NCGC00015563-06; NCGC00015563-08; NCGC00015563-09; NCGC00015563-10; NCGC00015563-11; NCGC00015563-13; NCGC00015563-25; NCGC00024253-03; NCGC00024253-04; 5-(3-Dimethylaminopropyl)-10;f)azepine; SY246340; Trimipramine maleate impurity; imipramine-; SBI-0050680.P004; WLN: T C676 BN&T&J B3N1&1; 5-(3-(Dimethylamino)propyl)-10;f)azepine; AB00053486; CS-0013621; NS00008106; 5H-Dibenz[b; 10;11-dihydro-N;N-dimethyl-; C07049; D08070; EN300-708790; Q58396; AB00053486-15; AB00053486_16; AB00053486_17; 1-(3-Dimethylaminopropyl)-4;3;6;7-dibenzazepine; L000739; W-109253; BRD-K38436528-003-05-5; BRD-K38436528-003-15-4; 5H-Dibenz(b; 10;11-dihydro-5-(3-(dimethylamino)propyl)-; CLOMIPRAMINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]; TRIMIPRAMINE MALEATE IMPURITY; IMIPRAMINE-(USP IMPURITY); TRIMIPRAMINE MALEATE IMPURITY; IMIPRAMINE- [USP IMPURITY]; 3-(10;11-Dihydro-5H-dibenzo[b;f]azepin-5-yl)-N;N-dimethyl-1-propanamine #; (3-{2-azatricyclo[9.4.0.0;3;8]pentadeca-1(11);3(8);4;6;12;14-hexaen-2-yl}propyl)dimethylamine; (3-{2-azatricyclo[9.4.0.0^{3;8}]pentadeca-1(11);3(8);4;6;12;14-hexaen-2-yl}propyl)dimethylamine; InChI=1/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6;8-11H;7;12-15H2;1-2H]

InChI Key

BCGWQEUPMDMJNV-UHFFFAOYSA-N

InChI

InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15...

IUPAC Name

3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine

CAS Number

303-49-1

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

45 47 0 0 0 0 0 0 0 0999 V2000
3.9910 -0.7046 1.7948 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4879 0.5681 1.2481 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4474 1.642...

Download SDF File (3838 bytes)

Experimental Data

Activity Data

Target Ion Channel

Two-pore channel subunit TPC2

Uniprot Accession Number

Q8NHX9

Function

Agonist

Species

Homo sapiens (Human)

IC₅₀

N/A (Not available)

EC₅₀

EC₅₀: 112000 nM

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.4

Holding Potential

Not specified

Temperature

37 °C

Test Method

Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay

Test Species

HEK293 cell (Homo sapiens embryonic kidney 293 cell)

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1111/febs.15432

URL

N/A (Not available)

PMID

32167471

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

3.875

Complexity

90.469

TPSA (Å²)

6.48

H-Bond Donors

H-Bond Acceptors

Ring Count

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