Ethacizine

CAT: 1596-AR-M05084-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M05084-04Size:100 Units

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CAS Number

33414-33-4

Molecular Formula

C22H27N3O3S

Molecular Weight

413.54

API Name

Moracizine

Chemical Information

Ethyl N-(10-(3-(diethylamino)-1-oxopropyl)-10H-phenothiazin-2-yl)carbamate

Ethacizine is a member of phenothiazines.

CAS Number	33414-33-4
PubChem CID	107841
IUPAC Name	ethyl N-[10-[3-(diethylamino)propanoyl]phenothiazin-2-yl]carbamate
Molecular Formula	C22H27N3O3S
Molecular Weight	413.5
XLogP	4.1
Topological Polar Surface Area	87.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	29
Formal Charge	0
Complexity	557

SMILES

CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OCC

InChI

InChI=1S/C22H27N3O3S/c1-4-24(5-2)14-13-21(26)25-17-9-7-8-10-19(17)29-20-12-11-16(15-18(20)25)23-22(27)28-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27)

InChIKey

PQXGNJKJMFUPPM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33414-33-4

CID: 107841

Formula: C22H27N3O3S

MW: 413.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	413.5
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	413.17731291
Monoisotopic Mass	413.17731291
Topological Polar Surface Area	87.2 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	557
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

Catalog	Name
HY-131987	Ethacizine
GTR19205906	Ethacizine hydrochloride
HY-135121-01	Ethacizine (hydrochloride)
HY-131987S	Ethacizine-d5
HY-135121R-01	Ethacizine (hydrochloride) (Standard)