Nitidine chloride 500mg

CAT: 0628-A14701-500Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0628-A14701-500Size:500 mg

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CAS Number

13063-04-2

Chemical Information

Nitidine, chloride

CAS Number	13063-04-2
PubChem CID	25659
IUPAC Name	2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium chloride
Molecular Formula	C21H18ClNO4
Molecular Weight	383.8
Topological Polar Surface Area	40.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	516

SMILES

C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.[Cl-]

InChI

InChI=1S/C21H18NO4.ClH/c1-22-10-13-7-17(23-2)18(24-3)8-15(13)14-5-4-12-6-19-20(26-11-25-19)9-16(12)21(14)22;/h4-10H,11H2,1-3H3;1H/q+1;/p-1

InChIKey

QLDAACVSUMUMOR-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 13063-04-2

CID: 25659

Formula: C21H18ClNO4

MW: 383.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	383.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	383.0924357
Monoisotopic Mass	383.0924357
Topological Polar Surface Area	40.8 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	516
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	2
Compound Is Canonicalized	Yes

Catalog	Name
A14701-25	Nitidine chloride 25mg
A14701-50	Nitidine chloride 50mg
A14701-10	Nitidine chloride 10mg
A14701-100	Nitidine chloride 100mg
A14701-5	Nitidine chloride 5mg
A14701-1	Nitidine chloride 1mg
A19755-500	Dabsyl chloride 500mg
A10180-500	Bethanechol chloride 500mg
A12763-500	Palmitoylcarnitine chloride 500mg
A16451-500	Choline Chloride 500mg

Catalog	Name
SM4096-100mg	Nitidine chloride
HY-N0498-01	Nitidine (chloride)
HY-N0498R	Nitidine (chloride) (Standard)
371726	Nitidine chloride discontinued