Cinaciguat

CAT: 0127-BUP15162-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP15162-02Size:10 mg

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CAS Number

329773-35-5

Synonyms

BAY 58-2667

Purity

=98%

Smiles

O(CC1=CC=C(CCC2=CC=CC=C2)C=C1)C3=C(CCN(CC4=CC=C(C(O)=O)C=C4)CCCCC(O)=O)C=CC=C3

Chemical Information

Cinaciguat

Cinaciguat is a benzoic acid that is 4-(aminomethyl)benzoic acid in which the amino group is substituted by 4-carboxybutyl and 2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl groups. It is a soluble guanylate cyclase activator, used for the treatment of acute decompensated heart failure. It has a role as a vasodilator agent, an antihypertensive agent and a soluble guanylate cyclase activator. It is a member of benzoic acids, an aromatic ether, a dicarboxylic acid and a tertiary amino compound.

CAS Number	329773-35-5
PubChem CID	9808022
IUPAC Name	4-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid
Molecular Formula	C36H39NO5
Molecular Weight	565.7
XLogP	4.9
Topological Polar Surface Area	87.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	17
Heavy Atom Count	42
Formal Charge	0
Complexity	767

SMILES

C1=CC=C(C=C1)CCC2=CC=C(C=C2)COC3=CC=CC=C3CCN(CCCCC(=O)O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)

InChIKey

WPYWMXNXEZFMAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 329773-35-5

CID: 9808022

Formula: C36H39NO5

MW: 565.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	565.7
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	17
Exact Mass	565.28282334
Monoisotopic Mass	565.28282334
Topological Polar Surface Area	87.1 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	767
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

Alternative Products

Catalog	Name
A3314-10	Cinaciguat
319904	Cinaciguat HCl
A21283-2	Cinaciguat 2mg
A21283-100	Cinaciguat 100mg
A21283-50	Cinaciguat 50mg
A21283-10	Cinaciguat 10mg
MBS5772166	Cinaciguat hydrochloride
HY-14181A-01	Cinaciguat (hydrochloride)
A21283-5	Cinaciguat 5mg
HY-14181R-01	Cinaciguat (Standard)

Cinaciguat

Chemical Information

Alternative Products

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