Chlorprothixene hydrochloride

CAT: 0926-FC20410-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FC20410-01Size:25 mg

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CAS Number

6469-93-8

Synonyms

(3Z) -3- (2-Chloro-9H-thioxanthen-9-ylidene) -N, N-dimethyl-1-propanamine hydrochloride; Truxal hydrochloride; cis-Chlorprothixene hyd

MDL Number

MFCD01941605

Smiles

CN (C) CC/C=C\1/C2=CC=CC=C2SC3=C1C=C (C=C3) Cl.Cl

Molecular Formula

C18H19Cl2NS

Molecular Weight

352.32 g/mol

Controlled

Chemical Information

Chlorprothixene Hydrochloride

CAS Number	6469-93-8
PubChem CID	5282478
IUPAC Name	(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
Molecular Formula	C18H19Cl2NS
Molecular Weight	352.3
Topological Polar Surface Area	28.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	381

SMILES

CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl

InChI

InChI=1S/C18H18ClNS.ClH/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18;/h3-4,6-10,12H,5,11H2,1-2H3;1H/b14-7-;

InChIKey

YWKRLOSRDGPEJR-KIUKIJHYSA-N

Chemical Structure

2D Structure

CAS: 6469-93-8

CID: 5282478

Formula: C18H19Cl2NS

MW: 352.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	352.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	351.0615262
Monoisotopic Mass	351.0615262
Topological Polar Surface Area	28.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	381
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Catalog	Name
B3091-500	Chlorprothixene hydrochloride
C3509-25000	Chlorprothixene (hydrochloride)
006767	Chlorprothixene-d6 Hydrochloride
HY-B0274AS-01	Chlorprothixene-d6 (hydrochloride)