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(S) - (+) -Ketamine hydrochloride

CAT: 1596-AR-K01565-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-K01565-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
33643-47-9
Synonyms
(2S) -2- (2-chlorophenyl) -2- (methylamino) -cyclohexanone, monohydrochloride
Molecular Formula
C13H16ClNO.HCl
Molecular Weight
274.19
API Name
Ketamine

Chemical Information

Esketamine Hydrochloride
CAS Number33643-47-9
PubChem CID44632368
IUPAC Name(2S)-2-(2-chlorophenyl)-2-(methylamino)cyclohexan-1-one;hydrochloride
Molecular FormulaC13H17Cl2NO
Molecular Weight274.18
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity269
SMILES
CN[C@@]1(CCCCC1=O)C2=CC=CC=C2Cl.Cl
InChI
InChI=1S/C13H16ClNO.ClH/c1-15-13(9-5-4-8-12(13)16)10-6-2-3-7-11(10)14;/h2-3,6-7,15H,4-5,8-9H2,1H3;1H/t13-;/m0./s1
InChIKey
VCMGMSHEPQENPE-ZOWNYOTGSA-N
Chemical Structure
2D Structure
2D structure of Esketamine Hydrochloride
CAS: 33643-47-9
CID: 44632368
Formula: C13H17Cl2NO
MW: 274.18
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.18
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass273.0687196
Monoisotopic Mass273.0687196
Topological Polar Surface Area29.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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