| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H20Cl2N2O.C4H4O4 |
| Molecular Weight | 443.321 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CO\N=C\[C@H]1[C@H]2CC[C@@H](C[C@@H]1C3=CC(Cl)=C(Cl)C=C3)N2C
InChI
InChIKey=XVXRAWKEYKMWFS-YGPNHCCBSA-N
InChI=1S/C16H20Cl2N2O.C4H4O4/c1-20-11-4-6-16(20)13(9-19-21-2)12(8-11)10-3-5-14(17)15(18)7-10;5-3(6)1-2-4(7)8/h3,5,7,9,11-13,16H,4,6,8H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b19-9+;2-1-/t11-,12+,13+,16+;/m0./s1
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C16H20Cl2N2O |
| Molecular Weight | 327.249 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
NeuroSearch was developing brasofensine (or NS 2214), an oral dopamine reuptake inhibitor for the treatment of Parkinson's disease. Brasofensine successfully passed phase II clinical trial in patients with Parkinson's disease, The drug was safe and well tolerated. However, NeuroSearch discontinued the development of the drug because of the cis-anti isomerization of the 2α-methyloxime group of brasofensine in favor of NS 2230.
Originator
Approval Year
PubMed
Patents
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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