| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 10 | Yes |
Popular Name: Tranylcypromine Sulfate Tranylcypromine Sulfate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13492-01-8 , 13492-01-8, 155-09-9 [tra , 13492-01-8, 7081-36-9 [replaced], 155-09-9 [tranylcypromine] , 155-09-9 , 1986-47-6 , 37388-05-9 , 54-97-7 , 61-81-4 , 95-62-5
(+)-trans-2-Phenylcyclopropylamine
(1R)-2-phenylcyclopropan-1-amine
(1R,2R)-2-phenylcyclopropan-1-amine
(1R,2S)-2-phenylcyclopropan-1-amine
(1R,2S)-2-phenylcyclopropanamine
(1R,2S)-2-Phenylcyclopropanamine hydrochloride
(1R,2S)-rel-2-Phenylcyclopropanamine hydrochloride
(1S)-2-phenylcyclopropan-1-amine
(1S,2R)-2-phenylcyclopropan-1-amine
(1S,2S)-2-phenylcyclopropan-1-amine
(2S)-2-phenylcyclopropan-1-amine
13492-01-8; D00826; Parnate (TN); Tranylcypromine sulfate (USP XXI)
155-09-9; C07155; Tranylcypromine
155-09-9; D08625; Parnate (TN); Tranylcypromine (INN)
2-Phenyl-1-aminocyclopropane, trans-
2-Phenyl-cyclopropylamine hydrochloride
2-phenylcyclopropan-1-amine hydrochloride
2-Phenylcyclopropanamine hydrochloride
3-12-00-02797 (Beilstein Handbook Reference)
Allphar Brand of Tranylcypromine Sulfate
Cyclopropanamine, 2-phenyl-, (1R,2S)-rel-
Cyclopropanamine, 2-phenyl-, (1R-trans)-
Cyclopropanamine, 2-phenyl-, (1R-trans)- (9CI)
Cyclopropanamine, 2-phenyl-, trans-
Cyclopropanamine, 2-phenyl-, trans-(+)-
Cyclopropanamine, 2-phenyl-, trans-(+-)-
Cyclopropanamine, 2-phenyl-, trans-(.+-.)-
Cyclopropanamine, 2-phenyl-, trans-(.+/-.)-
Cyclopropylamine, 2-phenyl-, (1S-trans)-
CYCLOPROPYLAMINE, 2-PHENYL-, trans-
Cyclopropylamine, 2-phenyl-, trans-(+-)-
Cyclopropylamine, 2-phenyl-, trans-(-)-
Cyclopropylamine, 2-phenyl-, trans-(.+-.)-
Cyclopropylamine, 2-phenyl-, trans-(.+/-.)-
Cyclopropylamine, trans-2-phenyl-
esparma Brand of Tranylcypromine Sulfate
GlaxoSmithKline Brand of Tranylcypromine Sulfate
Goldshield Brand of Tranylcypromine Sulfate
INN); Tranylcypromine Sulfate (FDA
Link Brand of Tranylcypromine Sulfate
SmithKline Brand of Tranylcypromine Sulfate
trans 2 Phenylcyclopropylamine
trans-(-)-2-Phenylcyclopropanamine
trans-2-phenylcyclopropan-1-amine hydrochloride
trans-2-Phenylcyclopropanamine hydrochloride
Trans-2-Phenylcyclopropylamine
TRANS-2-PHENYLCYCLOPROPYLAMINE HYDROCHLORIDE
trans-2-Phenylcyclopropylamine hydrochloride, 97%
TRANS-2-PHENYLCYCLOPROPYLAMINEHEMISULFATESALT
trans-DL-2-Phenylcyclopropylamine
| 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) | 1.43 | 3.92 | -43.11 | 3 | 1 | 1 | 28 | 134.202 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.43 | 3.59 | -2.63 | 2 | 1 | 0 | 26 | 133.194 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.04e-02 g/l | DrugBank-experimental |
| ALOGPS_SOLUBILITY | 1.49e+00 g/l | DrugBank-approved |
| MP | 155 - 157 | Enamine Building Blocks |
| MP | 155...157 | Enamine Building Blocks |
| MP | 156 - 158 | Enamine Building Blocks |
| MP | 162 - 169 | Enamine Building Blocks |
| MP | 162...169 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Therapy | antidepressant | SMDC MicroSource |
| therap | antidepressant, MAO inhibitor | MicroSource Spectrum |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H312: Harmful in contact with skin; H315: Causes skin irritation; H319: Causes serious eye irritation; H332: Harmful if inhaled; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/ | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin. | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin.; R25: Toxic if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | 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 |
| Hazard | T: Toxic | Acros Organics |
| PUBCHEM_PATENT_ID | WO2000004021A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB-1-E | Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic | Eukaryotes | 33 | 1.05 | Binding ≤ 10μM |
| AOFB-1-E | Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic | Eukaryotes | 35 | 1.04 | Binding ≤ 10μM |
| KDM1A-1-E | Lysine-specific Histone Demethylase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.80 | Binding ≤ 10μM |
| 5HT2C-1-E | 5-hydroxytryptamine Receptor 2C (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2697 | 0.78 | Functional ≤ 10μM |
| CP2B6-2-E | Cytochrome P450 2B6 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 6960 | 0.72 | ADME/T ≤ 10μM |
| CP2CJ-1-E | Cytochrome P450 2C19 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5950 | 0.73 | ADME/T ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 10000 | 0.70 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 35 | 1.04 | Binding ≤ 1μM |
| KDM1A_HUMAN | O60341 | Lysine-specific Histone Demethylase 1, Human | 2000 | 0.80 | Binding ≤ 10μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 35 | 1.04 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 10000 | 0.70 | Functional ≤ 10μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 2697 | 0.78 | Functional ≤ 10μM |
| CP2B6_HUMAN | P20813 | Cytochrome P450 2B6, Human | 6240 | 0.73 | ADME/T ≤ 10μM |
| CP2CJ_HUMAN | P33261 | Cytochrome P450 2C19, Human | 3040 | 0.77 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| CYP2E1 reactions | |
| Factors involved in megakaryocyte development and platelet production | |
| Fatty acids | |
| G alpha (q) signalling events | |
| HDACs deacetylate histones | |
| HDMs demethylate histones | |
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 | |
| Serotonin receptors | |
| Synthesis of (16-20)-hydroxyeicosatetraenoic acids (HETE) | |
| Synthesis of epoxy (EET) and dihydroxyeicosatrienoic acids (DHET) | |
| Xenobiotics |
