Dimethoxanate

CAT: 0926-FD159416-01Size: 0.025 gDry Ice: NoHazardous: No

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CAT#:0926-FD159416-01Size:0.025 g

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CAS Number

477-93-0

MDL Number

MFCD00866821

Smiles

CN (C) CCOCCOC (=O) N1C2=CC=CC=C2SC3=CC=CC=C31

Molecular Formula

C19H22N2O3S

Molecular Weight

358.46 g/mol

Controlled

Chemical Information

Dimethoxanate

Dimethoxanate is a member of phenothiazines.

CAS Number	477-93-0
PubChem CID	10610
IUPAC Name	2-[2-(dimethylamino)ethoxy]ethyl phenothiazine-10-carboxylate
Molecular Formula	C19H22N2O3S
Molecular Weight	358.5
XLogP	3.3
Topological Polar Surface Area	67.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	25
Formal Charge	0
Complexity	413

SMILES

CN(C)CCOCCOC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C19H22N2O3S/c1-20(2)11-12-23-13-14-24-19(22)21-15-7-3-5-9-17(15)25-18-10-6-4-8-16(18)21/h3-10H,11-14H2,1-2H3

InChIKey

OOVJCSPCMCAXEX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 477-93-0

CID: 10610

Formula: C19H22N2O3S

MW: 358.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	358.5
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	358.13511374
Monoisotopic Mass	358.13511374
Topological Polar Surface Area	67.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	413
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes