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Dichloroimipramine Hydrochloride

CAT: 0572-TRC-D434845-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D434845-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
115189-28-1
Synonyms
Clomipramine Hydrochloride Imp. D (EP); Clomipramine Imp. D (EP); Clomipramine USP Related Compound D; Clomipramine USP RC D; 3-(3,7-Dichloro-10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine Hydrochloride; Clomipramine Hydrochloride Imp. D (EP) as Hydrochloride; 5H-Dibenz[b,f]azepine-5-propanamine, 3,7-dichloro-10,11-dihydro-N,N-dimethyl-, hydrochloride (1:1); 5H-Dibenz[b,f]azepine, 3,7-dichloro-5-(3-dimethylaminopropyl)-10,11-dihydro-, hydrochloride (6CI); Clomipramine Related Compound D as Hydrochloride; Clomipramine Hydrochloride Impurity D as Hydrochloride; Clomipramine Impurity D as Hydrochloride
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl.CN(C)CCCN1c2cc(Cl)ccc2CCc3ccc(Cl)cc13
Molecular Formula
C19 H22 Cl2 N2 . Cl H
Molecular Weight
385.76
InChI
InChI=1S/C19H22Cl2N2.ClH/c1-22(2)10-3-11-23-18-12-16(20)8-6-14(18)4-5-15-7-9-17(21)13-19(15)23;/h6-9,12-13H,3-5,10-11H2,1-2H3;1H
Additionnal Information
IUPAC name: 3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3,7-Dichloroimipramine hydrochloride
CAS Number115189-28-1
PubChem CID129318631
IUPAC Name3-(2,9-dichloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
Molecular FormulaC19H23Cl3N2
Molecular Weight385.8
Topological Polar Surface Area6.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity348
SMILES
CN(C)CCCN1C2=C(CCC3=C1C=C(C=C3)Cl)C=CC(=C2)Cl.Cl
InChI
InChI=1S/C19H22Cl2N2.ClH/c1-22(2)10-3-11-23-18-12-16(20)8-6-14(18)4-5-15-7-9-17(21)13-19(15)23;/h6-9,12-13H,3-5,10-11H2,1-2H3;1H
InChIKey
ZQIGPUHBKAQZPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,7-Dichloroimipramine hydrochloride
CAS: 115189-28-1
CID: 129318631
Formula: C19H23Cl3N2
MW: 385.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass384.092682
Monoisotopic Mass384.092682
Topological Polar Surface Area6.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity348
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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