Etozolin Hydrochloride

CAT: 0024-sc-497421Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-497421Size:50 mg

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CAS Number

53-90-7

Chemical Information

Etozolin hydrochloride

CAS Number	53-90-7
PubChem CID	72710623
IUPAC Name	ethyl (2Z)-2-(3-methyl-4-oxo-5-piperidin-1-yl-1,3-thiazolidin-2-ylidene)acetate;hydrochloride
Molecular Formula	C13H21ClN2O3S
Molecular Weight	320.84
Topological Polar Surface Area	75.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	391

SMILES

CCOC(=O)/C=C\1/N(C(=O)C(S1)N2CCCCC2)C.Cl

InChI

InChI=1S/C13H20N2O3S.ClH/c1-3-18-11(16)9-10-14(2)12(17)13(19-10)15-7-5-4-6-8-15;/h9,13H,3-8H2,1-2H3;1H/b10-9-;

InChIKey

AOHAFCXGDWOODX-KVVVOXFISA-N

Chemical Structure

2D Structure

CAS: 53-90-7

CID: 72710623

Formula: C13H21ClN2O3S

MW: 320.84

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	320.84
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	320.0961414
Monoisotopic Mass	320.0961414
Topological Polar Surface Area	75.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	391
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-497422	Etozolin-d3 Hydrochloride
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sc-351726	Diphenidol hydrochloride
sc-200921C	Daunorubicin hydrochloride

Catalog	Name
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TRC-E933520-1G	Etozolin Hydrochloride
164162	Etozolin-d3 Hydrochloride
HY-B2081	Etozolin
GTR19210792-01	Etozolin HCl
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OR1043462-01	Hydrochloride
C8905-07	O-Cyclopropylmethyl-hydroxylamine, Hydrochloride (Cyclopropylmethoxyamine, Hydrochloride, Cyclopropylmethoxylamine, Hydrochloride)
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