| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 14 | Yes |
Popular Name: 5-Methoxytryptamine 5-Methoxytryptamine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 608-07-1 , 66-83-1 , 7/1/608 , [608-07-1] , [66-83-1]
1H-indole-3-ethanamine, 5-methoxy-
1H-indole-3-ethanamine, 5-methoxy-, monohydrochloride
2-(5-Methoxy-1H-indol-3-yl)-ethanamine hydrochloride
2-(5-Methoxy-1H-indol-3-yl)-ethylamine
2-(5-methoxy-1H-indol-3-yl)ethan-1-amine
2-(5-methoxy-1H-indol-3-yl)ethanamine
2-(5-methoxy-1H-indol-3-yl)ethanamine hydrochloride
2-[5-Methoxyindol-3-yl]ethylamine hydrochloride
3-(2-Aminoethyl)-5-Methoxyindole
3-(2-Aminoethyl)-5-methoxyindole hydrochloride
5-MeOT; 5-Methoxytryptamine; 608-07-1; C05659
5-Methoxytryptamine hydrochloride
5-Methoxytryptamine hydrochloride, 97%
5-Methoxytryptamine hydrochloride, 98+%
5-Methoxytryptamine [608-07-1]
5-Methoxytryptamine, free base
5-methoxytryptamine; CPD-12018; O-methylserotonin; methoxytryptamine; mexamine
5-Methoxytryptamine; CPD000112269; SAM001246909
5-METHOXYTRYPTAMINE; [608-07-1]
CPD000112269; 5-Methoxytryptamine
METHOXYINDOLYLETHANAMINEHYDROCHLORID
O-Methylserotonin hydrochloride
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.10 | 2.65 | -46.13 | 4 | 3 | 1 | 53 | 191.254 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 119 - 121 | Enamine Building Blocks |
| MP | 119...121 | Enamine Building Blocks |
| MP | 121 | TCI |
| MP | 121 - 123 | Enamine Building Blocks |
| MP | 121-123 ºC | Matrix Scientific |
| MP | 245-250 °C (dec.)(lit.) | Indofine |
| Melting_Point | 245-250? dec. | Alfa-Aesar |
| MP | 245-250° | Matrix Scientific |
| Melting_Point | 245-250° dec. | Alfa-Aesar |
| MP | 245-250°(dec.) | Oakwood Chemical |
| Mp [°C] | 246 - 248 | Acros Organics |
| Therapy | 5HT agonist | SMDC MicroSource |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Hazard | C: Corrosive | Acros Organics |
| Patent Database Links | EP1666040; WO2005039546 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage; H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : 286583 | NIH Clinical Collection via PubChem |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R34: Causes burns. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: 286583 | NIH Clinical Collection via PubChem |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A-3-E | Serotonin 1a (5-HT1a) Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 9 | 0.80 | Binding ≤ 10μM |
| 5HT1B-1-E | Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 400 | 0.64 | Binding ≤ 10μM |
| 5HT1D-1-E | Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.87 | Binding ≤ 10μM |
| 5HT1F-1-E | Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.87 | Binding ≤ 10μM |
| 5HT2A-2-E | Serotonin 2a (5-HT2a) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 5 | 0.83 | Binding ≤ 10μM |
| 5HT2B-1-E | Serotonin 2b (5-HT2b) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 690 | 0.62 | Binding ≤ 10μM |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 45 | 0.73 | Binding ≤ 10μM |
| 5HT4R-1-E | Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 27 | 0.76 | Binding ≤ 10μM |
| 5HT6R-1-E | Serotonin 6 (5-HT6) Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 88 | 0.71 | Binding ≤ 10μM |
| 5HT7R-2-E | Serotonin 7 (5-HT7) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 2 | 0.87 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 2 | 0.87 | Binding ≤ 1μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 3.2 | 0.85 | Binding ≤ 1μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 2 | 0.87 | Binding ≤ 1μM |
| 5HT1B_HUMAN | P28222 | Serotonin 1b (5-HT1b) Receptor, Human | 3.5 | 0.85 | Binding ≤ 1μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 2 | 0.87 | Binding ≤ 1μM |
| 5HT1D_HUMAN | P28221 | Serotonin 1d (5-HT1d) Receptor, Human | 4.1 | 0.84 | Binding ≤ 1μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 2 | 0.87 | Binding ≤ 1μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 14 | 0.79 | Binding ≤ 1μM |
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 300 | 0.65 | Binding ≤ 1μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 14 | 0.79 | Binding ≤ 1μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 14 | 0.79 | Binding ≤ 1μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 45 | 0.73 | Binding ≤ 1μM |
| 5HT4R_HUMAN | Q13639 | Serotonin 4 (5-HT4) Receptor, Human | 245.470892 | 0.66 | Binding ≤ 1μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 50 | 0.73 | Binding ≤ 1μM |
| 5HT7R_HUMAN | P34969 | Serotonin 7 (5-HT7) Receptor, Human | 2 | 0.87 | Binding ≤ 1μM |
| 5HT1A_RAT | P19327 | Serotonin 1a (5-HT1a) Receptor, Rat | 2 | 0.87 | Binding ≤ 10μM |
| 5HT1A_HUMAN | P08908 | Serotonin 1a (5-HT1a) Receptor, Human | 3.2 | 0.85 | Binding ≤ 10μM |
| 5HT1B_RAT | P28564 | Serotonin 1b (5-HT1b) Receptor, Rat | 2 | 0.87 | Binding ≤ 10μM |
| 5HT1B_HUMAN | P28222 | Serotonin 1b (5-HT1b) Receptor, Human | 3.5 | 0.85 | Binding ≤ 10μM |
| 5HT1D_HUMAN | P28221 | Serotonin 1d (5-HT1d) Receptor, Human | 4.1 | 0.84 | Binding ≤ 10μM |
| 5HT1D_RAT | P28565 | Serotonin 1d (5-HT1d) Receptor, Rat | 2 | 0.87 | Binding ≤ 10μM |
| 5HT1F_RAT | P30940 | Serotonin 1f (5-HT1f) Receptor, Rat | 2 | 0.87 | Binding ≤ 10μM |
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 300 | 0.65 | Binding ≤ 10μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 14 | 0.79 | Binding ≤ 10μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 14 | 0.79 | Binding ≤ 10μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 45 | 0.73 | Binding ≤ 10μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 14 | 0.79 | Binding ≤ 10μM |
| 5HT4R_HUMAN | Q13639 | Serotonin 4 (5-HT4) Receptor, Human | 245.470892 | 0.66 | Binding ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 50 | 0.73 | Binding ≤ 10μM |
| 5HT7R_HUMAN | P34969 | Serotonin 7 (5-HT7) Receptor, Human | 2 | 0.87 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Serotonin receptors |
