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Didesmethyl Cariprazine Hydrochloride

CAT: 0572-TRC-D441660-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D441660-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1231947-92-4
Synonyms
N-[trans-4-[2-[4-(2,3-Dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]urea Hydrochloride;
Hazard Statement
No Data Available
Smiles
ClC1=C(N2CCN(CC[C@H]3CC[C@@H](CC3)NC(N)=O)CC2)C=CC=C1Cl.Cl
Molecular Formula
C19H28Cl2N4O • xHCl
InChI
InChI=1S/C19H28Cl2N4O.ClH/c20-16-2-1-3-17(18(16)21)25-12-10-24(11-13-25)9-8-14-4-6-15(7-5-14)23-19(22)26;/h1-3,14-15H,4-13H2,(H3,22,23,26);1H/t14-,15-;
Additionnal Information
IUPAC name: 1-((1r,4r)-4-(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)cyclohexyl)urea hydrochloride
Shipping Conditions
Room Temperature

Chemical Information

Didesmethyl Cariprazine Hydrochloride
CAS Number1231947-92-4
PubChem CID66988299
IUPAC Name[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea;hydrochloride
Molecular FormulaC19H29Cl3N4O
Molecular Weight435.8
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity451
SMILES
C1CC(CCC1CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl)NC(=O)N.Cl
InChI
InChI=1S/C19H28Cl2N4O.ClH/c20-16-2-1-3-17(18(16)21)25-12-10-24(11-13-25)9-8-14-4-6-15(7-5-14)23-19(22)26;/h1-3,14-15H,4-13H2,(H3,22,23,26);1H
InChIKey
HUOLXHMNXKBMDE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Didesmethyl Cariprazine Hydrochloride
CAS: 1231947-92-4
CID: 66988299
Formula: C19H29Cl3N4O
MW: 435.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass434.140695
Monoisotopic Mass434.140695
Topological Polar Surface Area61.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity451
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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