MK 940
Basic information
- CAS
5154-92-7- Standard SMILES
CNCCC[C@@]12O[C@@H](c3ccccc31)[C@H](O)c1ccccc12- InChIKey
UOKCFJSKJHPUDQ-QYZOEREBSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Overview
RN given refers to (trans)-isomer; structure
Names & identifiers
- Preferred name
- MK 940
- IUPAC
- (1S,8R,9S)-1-[3-(methylamino)propyl]-16-oxatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-ol
- English name
- MK940
- Molecular formula
- C19H21NO2
- Molecular weight
- 295.38
Names & synonyms
5154-92-7MK-940MK 940RefChem:159168(5 alpha,10 alpha,11 beta)-10,11-dihydro-5-(3-(methylamino)propyl)-5,10-epoxy-5H-dibenzo(a,d)cyclohepten-11-0l, (Z)-2-butenedioate (1:1) salt(5s,10s,11r)-5-[3-(methylamino)propyl]-10,11-dihydro-5h-5,10-epoxydibenzo[a,d][7]annulen-11-ol(1S,8R,9S)-1-[3-(Methylamino)propyl]-16-oxatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-8-oltrans-10,11-Dihydro-5,10-epoxy-5-(3-(methylamino)propyl)-5H-dibenzo(a,d)cyclohepten-11-ol hydrogen maleateSCHEMBL30097966DTXSID609658635-[3-(Methylamino)propyl]-10,11-dihydro-5H-5,10-epoxydibenzo[a,d][7]annulen-11-ol(5alpha,10alpha,11beta)-10,11-Dihydro-5-(3-(methylamino)propyl)-5,10-epoxy-5H-dibenzo(a,d)cyclohepten-11-0l, (Z)-2-butenedioate (1:1) salt
Show more names
5,10-Epoxy-5H-dibenzo[a,d]cyclohepten-11-ol, 10,11-dihydro-5-[3-(methylamino)propyl]-, (5R,10R,11R)-rel-
Database identifiers
- CAS
5154-92-7- PubChem CID
- 192807
- DTXSID
DTXSID60965863
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 401
Physicochemical properties
- Melting point
- 129 · 129-130 °C
- Boiling point
- 451.8 · 451.8±45.0 °C(Predicted)
- Density
- 1.206 · 1.206±0.06 g/cm3(Predicted)
- pka
- 13.38 · 13.38±0.40(Predicted)
Chemistry & industry
Applications
DescriptionMK-940 is a potential central nervous system agent and an anti-depressant.
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Related reactions
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Compound notes
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