Dothiepin-d3

CAT: 1596-AR-D02312-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D02312-02Size:25 Units

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CAS Number

136765-31-6

Synonyms

(Z) -3- (dibenzo[b, e]thiepin-11 (6H) -ylidene) -N, N-dimethylpropan-1-amine-D3;3-Dibenzo[b, e]thiepin-11 (6H) -ylidene-N-methyl-N- (methyl-d3) -1-propanamine; N, N- (Dimethyl-d3) -dibenzo[b, e]thiepin-11 (6H), ?-propylamine-d3; Dosulepin-d3; Dosulepine-d3; Dothep-d3; IZ 914-d3; Prothiaden-d3; Prothiadene-d3; Dothiepin-d3

Molecular Formula

C19H18D3NS

Molecular Weight

298.46

API Name

Dothiepin

Chemical Information

CID 131699081

CAS Number	136765-31-6
PubChem CID	131699081
IUPAC Name	(3E)-N,N-dimethyl-3-(1,2,3-trideuterio-6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine
Molecular Formula	C19H21NS
Molecular Weight	298.5
XLogP	4.5
Topological Polar Surface Area	28.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	363

SMILES

[2H]C1=C(C(=C\2C(=C1)SCC3=CC=CC=C3/C2=C\CCN(C)C)[2H])[2H]

InChI

InChI=1S/C19H21NS/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/b17-11+/i5D,6D,10D

InChIKey

PHTUQLWOUWZIMZ-TVUQWVDKSA-N

Chemical Structure

2D Structure

CAS: 136765-31-6

CID: 131699081

Formula: C19H21NS

MW: 298.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	298.5
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	298.15830109
Monoisotopic Mass	298.15830109
Topological Polar Surface Area	28.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	363
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
010957	Dothiepin-d3
447676	Dothiepin-S, S-dioxide-d3
TRC-D536507-25MG	Dothiepin-S,S-dioxide-d3
T78126-01	Dothiepin
FD65010	Dothiepin HCl
GP3558-1g	Dothiepin hydrochloride
HY-12394S1-01	Dothiepin-d6 (hydrochloride)
HY-165378	(E) -Dothiepin (hydrochloride)
447675-01	Dothiepin-S, S-dioxide

Dothiepin-d3

Chemical Information

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