Cadralazine

CAT: 0127-BUP03314-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP03314-02Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

64241-34-5

Synonyms

ISF 2469, ISF-2469, ISF2469

Purity

=98%

Smiles

N(CC(C)O)(CC)C1=CC=C(NNC(OCC)=O)N=N1

Chemical Information

Cadralazine

Cadralazine is an organic molecular entity.

CAS Number	64241-34-5
PubChem CID	2515
IUPAC Name	ethyl N-[[6-[ethyl(2-hydroxypropyl)amino]pyridazin-3-yl]amino]carbamate
Molecular Formula	C12H21N5O3
Molecular Weight	283.33
XLogP	1
Topological Polar Surface Area	99.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	20
Formal Charge	0
Complexity	292

SMILES

CCN(CC(C)O)C1=NN=C(C=C1)NNC(=O)OCC

InChI

InChI=1S/C12H21N5O3/c1-4-17(8-9(3)18)11-7-6-10(13-15-11)14-16-12(19)20-5-2/h6-7,9,18H,4-5,8H2,1-3H3,(H,13,14)(H,16,19)

InChIKey

QLTVVOATEHFXLT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 64241-34-5

CID: 2515

Formula: C12H21N5O3

MW: 283.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	283.33
XLogP3	1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	283.16443955
Monoisotopic Mass	283.16443955
Topological Polar Surface Area	99.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	292
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-106538-01	Cadralazine
HY-106538R	Cadralazine (Standard)