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CAS No.: | 77086-22-7 |
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Name: | (-)-MK-801 MALEATE |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C20H19NO4 |
Molecular Weight: | 337.375 |
Synonyms: | 5H-Dibenzo(a,d)cyclohepten-5,10-imine, 10,11-dihydro-5-methyl-, (+)-, (Z)-2-butenedioate (1:1);5H-Dibenzo[a,d]cyclohepten-5,10-imine, 10,11-dihydro-5-methyl-, (5S)-, (2Z)-2-butenedioate (1:1);Dizocilpina [INN-Spanish];Dizocilpinum [INN-Latin];(+)-10,11-Dihydro-5-methyl-5H-dibenzo(a,d)cyclohepten-5,10-diyldiammonium maleate;MK 801;Dizocilpine maleate;Dizocilpine maleate [USAN];5H-Dibenzo(a,d)cyclohepten-5,10-imine, 10,11-dihydro-5-methyl-, (5S)-;77086-21-6;5H-Dibenzo[a,d]cyclohepten-5,10-imine,10,11- dihydro-5-methyl-,(5S)-,(2Z)-2-butenedioate (1:1);MK-801;Prestwick_903;(+)-10,11-Dihydro-5-methyl-5H-dibenzo(a,d)cyclohepten-5,10-imine maleate (1:1);(+)-MK-801 MALEATE;(5S,10R)-(+)-5-Methyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imine maleate;(+)-5-Methyl-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5,10-imine (Z)-2-Butenedioate (1:1);(1S,9R)-1-Methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaene (2Z)-but-2-enedioate (1:1);(5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene (2Z)-but-2-enedioate (1:1);5H-Dibenzo[a,d]cyclohepten-5,10-imine, 10,11-dihydro-5-methyl-, (5S,10R)-, (2Z)-2-butenedioate (1:1);Neurogard; |
EINECS: | 278-614-5 |
Melting Point: | 208.5-210° |
Boiling Point: | 320.3 °C at 760 mmHg |
Flash Point: | 152.6 °C |
Solubility: | DMSO: >20 mg/mL |
Appearance: | White Solid |
Safety: | 22-24/25 |
PSA: | 86.63000 |
LogP: | 3.19110 |
The (-)-MK 801 Maleate, with the CAS registry number 77086-22-7 and EINECS registry number 278-614-5, has the systematic name of (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene (2Z)-but-2-enedioate. It is a kind of white solid, and belongs to the product categories of Glutamate receptor and Glutamate. And the molecular formula of the chemical is C20H19NO4. What's more, while dealing with it, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of (-)-MK 801 Maleate are as followings: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 3.24 Å2; (7)Flash Point: 152.6 °C; (8)Enthalpy of Vaporization: 56.19 kJ/mol; (9)Boiling Point: 320.3 °C at 760 mmHg; (10)Vapour Pressure: 0.000321 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)\C=C/C(=O)O.c1c3c(ccc1)[C@@]4(c2c(cccc2)C[C@H]3N4)C
(2)InChI: InChI=1/C16H15N.C4H4O4/c1-16-13-8-4-2-6-11(13)10-15(17-16)12-7-3-5-9-14(12)16;5-3(6)1-2-4(7)8/h2-9,15,17H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-,16+;/m1./s1
(3)InChIKey: QLTXKCWMEZIHBJ-PJGJYSAQBS
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 30mg/kg (30mg/kg) | United States Patent Document. Vol. #5273989, |