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Didesmethyl Cariprazine

CAT: 0572-TRC-D441663-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D441663-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
839712-25-3
Synonyms
N-[trans-4-[2-[4-(2,3-Dichlorophenyl)-1-piperazinyl]ethyl]cyclohexyl]urea
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
ClC(C(Cl)=CC=C1)=C1N(CC2)CCN2CC[C@H]3CC[C@H](NC(N)=O)CC3
Molecular Formula
C19H28Cl2N4O
Molecular Weight
399.36
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Didesmethyl cariprazine
CAS Number839712-25-3
PubChem CID11200383
IUPAC Name[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
Molecular FormulaC19H28Cl2N4O
Molecular Weight399.4
XLogP3.7
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity451
SMILES
C1CC(CCC1CCN2CCN(CC2)C3=C(C(=CC=C3)Cl)Cl)NC(=O)N
InChI
InChI=1S/C19H28Cl2N4O/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)
InChIKey
UMTWXZNVNBBFLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Didesmethyl cariprazine
CAS: 839712-25-3
CID: 11200383
Formula: C19H28Cl2N4O
MW: 399.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight399.4
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass398.1640169
Monoisotopic Mass398.1640169
Topological Polar Surface Area61.6 Ų
Heavy Atom Count26
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 Count1
Compound Is CanonicalizedYes

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T15117-01Didesmethyl cariprazine
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