Zoniporide dihydrochloride

CAT: 0926-RJA79910-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-RJA79910-01Size:25 mg

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CAS Number

241799-10-0

MDL Number

MFCD09971126

Smiles

C1CC1C2=C (C=NN2C3=CC=CC4=C3C=CC=N4) C (=O) N=C (N) N.Cl.Cl

Molecular Formula

C17H18Cl2N6O

Molecular Weight

393.3 g/mol

Controlled

Chemical Information

Zoniporide dihydrochloride

CAS Number	241799-10-0
PubChem CID	22267855
IUPAC Name	5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;dihydrochloride
Molecular Formula	C17H18Cl2N6O
Molecular Weight	393.3
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	515

SMILES

C1CC1C2=C(C=NN2C3=CC=CC4=C3C=CC=N4)C(=O)N=C(N)N.Cl.Cl

InChI

InChI=1S/C17H16N6O.2ClH/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13;;/h1-5,8-10H,6-7H2,(H4,18,19,22,24);2*1H

InChIKey

ARZNPJAGKWHEHT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 241799-10-0

CID: 22267855

Formula: C17H18Cl2N6O

MW: 393.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	393.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	392.0919146
Monoisotopic Mass	392.0919146
Topological Polar Surface Area	112 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	515
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	3
Compound Is Canonicalized	Yes

Catalog	Name
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H-2250-01	Histamine dihydrochloride
FS66448	Spinaceamine dihydrochloride
FP63879-01	Pyrithioxin dihydrochloride

Catalog	Name
B7160-50	Zoniporide dihydrochloride
HY-105064C	Zoniporide (dihydrochloride)
M33776-01	Zoniporide
526589	Zoniporide HCl
TRC-Z680000-50MG	Zoniporide Hydrochloride
C3480-50	Zoniporide (hydrochloride)
HY-105064A	Zoniporide (mesylate)
HY-105064R	Zoniporide (Standard)