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MT-7716 HCl hydrate

CAT: 0931-T71214-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T71214-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215859-92-9
Target
Others
Related Pathways
Others
Bioactivity
MT-7716 HCl hydrate is a NOP receptor agonist.
Smiles
O.Cl.CNC(=O)Cn1c2ccccc2n(C2CCN(CC2)[C@@H]2Cc3cccc4cccc2c34)c1=O
Molecular Formula
C27H31ClN4O3
Molecular Weight
495.02
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MT-7716
CAS Number1215859-92-9
PubChem CID91667649
IUPAC Name2-[3-[1-[(1R)-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]-N-methylacetamide;hydrate;hydrochloride
Molecular FormulaC27H31ClN4O3
Molecular Weight495.0
Topological Polar Surface Area56.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity750
SMILES
CNC(=O)CN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)[C@@H]4CC5=CC=CC6=C5C4=CC=C6.O.Cl
InChI
InChI=1S/C27H28N4O2.ClH.H2O/c1-28-25(32)17-30-22-10-2-3-11-23(22)31(27(30)33)20-12-14-29(15-13-20)24-16-19-8-4-6-18-7-5-9-21(24)26(18)19;;/h2-11,20,24H,12-17H2,1H3,(H,28,32);1H;1H2/t24-;;/m1../s1
InChIKey
NZSPJWUQIIWTKM-PPLJNSMQSA-N
Chemical Structure
2D Structure
2D structure of MT-7716
CAS: 1215859-92-9
CID: 91667649
Formula: C27H31ClN4O3
MW: 495.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass494.2084686
Monoisotopic Mass494.2084686
Topological Polar Surface Area56.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity750
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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