Zoniporide hydrochloride

CAT: 0127-BUP01109-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01109-01Size:1 mg

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CAS Number

241800-97-5

Synonyms

CP-597396 hydrochloride

Purity

=98%

Smiles

Cl.O=C(NC(=N)N)C=1C=NN(C2=CC=CC3=NC=CC=C32)C1C4CC4

Chemical Information

Zoniporide hydrochloride

CAS Number	241800-97-5
PubChem CID	11962997
IUPAC Name	5-cyclopropyl-N-(diaminomethylidene)-1-quinolin-5-ylpyrazole-4-carboxamide;hydrochloride
Molecular Formula	C17H17ClN6O
Molecular Weight	356.8
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	25
Formal Charge	0
Complexity	515

SMILES

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

InChI

InChI=1S/C17H16N6O.ClH/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);1H

InChIKey

JTEXNYIOROVPIR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 241800-97-5

CID: 11962997

Formula: C17H17ClN6O

MW: 356.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	356.1152369
Monoisotopic Mass	356.1152369
Topological Polar Surface Area	112 Å²
Heavy Atom Count	25
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	2
Compound Is Canonicalized	Yes

Catalog	Name
BUP01110-01	Zoniporide
OR1043462-01	Hydrochloride
BUP10427-01	Landiolol hydrochloride
BUP18561	Tetracaine hydrochloride
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BIO0140-01	Oxytetracycline hydrochloride
OR1038523	Littorine (hydrochloride)
OR1037189	Desethylamiodarone (hydrochloride)
BUP12652-01	Vabicaserin hydrochloride
BUP12603-01	VU591 hydrochloride

Catalog	Name
TRC-Z680000-50MG	Zoniporide Hydrochloride
C3480-50	Zoniporide (hydrochloride)
NJB40685-01	Zoniporide hydrochloride hydrate
HY-105064D-01	Zoniporide (hydrochloride hydrate)
HY-W704968-01	2-Oxo-zoniporide (hydrochloride)
TRC-O870465-1MG	2-Oxo-Zoniporide Hydrochloride
HY-105064DR	Zoniporide (hydrochloride hydrate) (Standard)
M33776-01	Zoniporide