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ML218

CAT: 0013-GTR19205381-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205381-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML218
CAS Number
1346233-68-8
Product Name Alternative
CalciumChannel, Cav3.2, Cav3.3, Ca2+ flux, Calcium Channel, ML218, ML-218, ML 218
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
99.20% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:5 mg/mL (13.54 mM) ; DMSO:100 mg/mL (270.76 mM)
Smiles
[H][C@@]12CN (CCC (C) (C) C) C[C@]1 ([H]) [C@H]2CNC (=O) c1cc (Cl) cc (Cl) c1
Molecular Formula
C19H26Cl2N2O
Molecular Weight
369.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide

3,5-dichloro-N-[[(1S,5R)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide is an organohalogen compound and a carbonyl compound.

CAS Number1346233-68-8
PubChem CID45115620
IUPAC Name3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
Molecular FormulaC19H26Cl2N2O
Molecular Weight369.3
XLogP4.9
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity443
SMILES
CC(C)(C)CCN1C[C@@H]2[C@H](C1)C2CNC(=O)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C19H26Cl2N2O/c1-19(2,3)4-5-23-10-16-15(17(16)11-23)9-22-18(24)12-6-13(20)8-14(21)7-12/h6-8,15-17H,4-5,9-11H2,1-3H3,(H,22,24)/t15?,16-,17+
InChIKey
GSJIGYLGKSBYBC-ALOPSCKCSA-N
Chemical Structure
2D Structure
2D structure of 3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CAS: 1346233-68-8
CID: 45115620
Formula: C19H26Cl2N2O
MW: 369.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.3
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass368.1422188
Monoisotopic Mass368.1422188
Topological Polar Surface Area32.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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