In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2005 | 16 | Yes |
Popular Name: CARNEGINEHYDROCHLORIDE CARNEGINEHYDROCHLORIDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5852-92-6 , [5852-92-6]
1,2-DIMETHYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE hydrochloride
1,2-Dimethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride, 98%
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) | 1.92 | 6.45 | -40.36 | 1 | 3 | 1 | 23 | 222.308 | 2 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 207° | Matrix Scientific |
Mp [°C] | 210 - 215 | Acros Organics |
Hazard | C: Corrosive | Acros Organics |
H phrase | H318: Causes serious eye damage | Acros Organics |
H phrase | H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage | Acros Organics |
Warnings | IRRITANT | Matrix Scientific |
P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
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 |
R phrase | R34: Causes burns. | 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 |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AOFA-1-E | Monoamine Oxidase A (cluster #1 Of 8), Eukaryotic | Eukaryotes | 2000 | 0.50 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
AOFA_HUMAN | P21397 | Monoamine Oxidase A, Human | 2000 | 0.50 | Binding ≤ 10μM |
Description | Species |
---|---|
Enzymatic degradation of dopamine by COMT | |
Enzymatic degradation of Dopamine by monoamine oxidase | |
Metabolism of serotonin | |
Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 | |
Norepinephrine Neurotransmitter Release Cycle |