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SEP-4199

CAT: 0013-GTR19273061-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273061-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SEP-4199 is a non-racemic compound composed of Aramisulpride and Esamisulpride in an 85:15 ratio. Compared to the racemate, SEP-4199 exhibits notable differences in relative efficacy on two distinct receptors, specifically [5-HT7R] and [D2R]. Moreover, SEP-4199 demonstrates antidepressant properties.
CAS Number
2974362-88-2
Smiles
C (NC[C@@H]1N (CC) CCC1) (=O) C2=C (OC) C=C (N) C (S (CC) (=O) =O) =C2.C (NC[C@H]1N (CC) CCC1) (=O) C2=C (OC) C=C (N) C (S (CC) (=O) =O) =C2
Molecular Formula
C34H54N6O8S2
Molecular Weight
738.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide;4-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide
CAS Number2974362-88-2
PubChem CID76960053
IUPAC Name4-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide;4-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide
Molecular FormulaC34H54N6O8S2
Molecular Weight739.0
Topological Polar Surface Area220
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Heavy Atom Count50
Formal Charge0
Complexity549
SMILES
CCN1CCC[C@@H]1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC.CCN1CCC[C@H]1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC
InChI
InChI=1S/2C17H27N3O4S/c2*1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h2*9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)/t2*12-/m10/s1
InChIKey
XHUHTAIIJUPGFW-IZIBOJBPSA-N
Chemical Structure
2D Structure
2D structure of 4-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide;4-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-ethylsulfonyl-2-methoxybenzamide
CAS: 2974362-88-2
CID: 76960053
Formula: C34H54N6O8S2
MW: 739.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight739.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count14
Exact Mass738.34445505
Monoisotopic Mass738.34445505
Topological Polar Surface Area220 Ų
Heavy Atom Count50
Formal Charge0
Complexity549
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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