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Ansofaxine hydrochloride

CAT: 1568-C07122Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C07122Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
916918-84-8
Synonyms
LY03005, LPM570065
SKU
C07122-5mg
Target
5-HT Receptor
Applications
Neuronal Signaling
Smiles
CC1=CC=C (C=C1) C (=O) OC2=CC=C (C=C2) C (CN (C) C) C3 (CCCCC3) O.Cl
Molecular Formula
C24H31NO3.ClH
Additionnal Information
Ansofaxine hydrochloride (LY03005, LPM570065), a triple reuptake inhibitor, inhibits serotonin, dopamine and norepinephrine reuptake with IC50 values of 723, 491 and 763 nM, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

Ansofaxine hydrochloride
CAS Number916918-84-8
PubChem CID56955395
IUPAC Name[4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenyl] 4-methylbenzoate;hydrochloride
Molecular FormulaC24H32ClNO3
Molecular Weight418.0
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity484
SMILES
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(CN(C)C)C3(CCCCC3)O.Cl
InChI
InChI=1S/C24H31NO3.ClH/c1-18-7-9-20(10-8-18)23(26)28-21-13-11-19(12-14-21)22(17-25(2)3)24(27)15-5-4-6-16-24;/h7-14,22,27H,4-6,15-17H2,1-3H3;1H
InChIKey
BVWFJKQJRNSYCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ansofaxine hydrochloride
CAS: 916918-84-8
CID: 56955395
Formula: C24H32ClNO3
MW: 418.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass417.2070716
Monoisotopic Mass417.2070716
Topological Polar Surface Area49.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity484
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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