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Rislenemdaz 100mg

CAT: 0628-A21907-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A21907-100Size:100 mg
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CAS Number
808732-98-1

Chemical Information

Rislenemdaz

Mk 0657 has been used in trials studying the treatment of Major Depressive Disorder.

CAS Number808732-98-1
PubChem CID11394238
IUPAC Name(4-methylphenyl)methyl (3S,4R)-3-fluoro-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate
Molecular FormulaC19H23FN4O2
Molecular Weight358.4
XLogP3.1
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity439
SMILES
CC1=CC=C(C=C1)COC(=O)N2CC[C@@H]([C@@H](C2)F)CNC3=NC=CC=N3
InChI
InChI=1S/C19H23FN4O2/c1-14-3-5-15(6-4-14)13-26-19(25)24-10-7-16(17(20)12-24)11-23-18-21-8-2-9-22-18/h2-6,8-9,16-17H,7,10-13H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
InChIKey
RECBFDWSXWAXHY-IAGOWNOFSA-N
Chemical Structure
2D Structure
2D structure of Rislenemdaz
CAS: 808732-98-1
CID: 11394238
Formula: C19H23FN4O2
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass358.18050415
Monoisotopic Mass358.18050415
Topological Polar Surface Area67.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity439
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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