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Dosulepin HCl

CAT: 1596-AR-D02306-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D02306-02Size:25 Units
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CAS Number
897-15-4
Synonyms
(E) -3- (dibenzo[b, e]thiepin-11 (6H) -ylidene) -N, N-dimethylpropan-1-amine hydrochloride;3-Dibenzo[b, e]thiepin-11 (6H) -ylidene-N, N-dimethyl-1-Propanamine Hydrochloride; N, N-Dimethyl-dibenzo[b, e]thiepin-?11 (6H), ?-propylamine Hydrochloride; Dibenzo[b, e]thiepin-1-propanamine Deriv.; 11- (3-Dimethylaminopropylidene) -6,11-dihydrodibenzo[b, e]thiepin Hydrochloride; Altapin; Depresym; Dosulepin Chloride; Dosulepin Hydrochloride; Prothiaden Hydrochloride; Dothiepin Hydrochloride
Molecular Formula
C19H21NS . HCl
Molecular Weight
295.45 36.46
API Name
Dosulepin

Chemical Information

Dothiepin Hydrochloride

See also: Dothiepin (has active moiety).

CAS Number897-15-4
PubChem CID9884029
IUPAC Name(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
Molecular FormulaC19H22ClNS
Molecular Weight331.9
Topological Polar Surface Area28.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity363
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31.Cl
InChI
InChI=1S/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H/b17-11+;
InChIKey
XUPZAARQDNSRJB-SJDTYFKWSA-N
Chemical Structure
2D Structure
2D structure of Dothiepin Hydrochloride
CAS: 897-15-4
CID: 9884029
Formula: C19H22ClNS
MW: 331.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight331.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass331.1161486
Monoisotopic Mass331.1161486
Topological Polar Surface Area28.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity363
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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