Candoxatril

CAT: 0024-sc-504600Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-504600Size:10 mg

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CAS Number

123122-55-4

Chemical Information

Candoxatril

Candoxatril is the 2,3-dihydro-1H-inden-5-yl ester of the active enantiomer of candoxatrilat. Candoxatril is an orally active prodrug of candoxatrilat, a potent neutral endopeptidase (NEP, neprilysin) inhibitor used in the treatment of chronic heart failure. It has a role as an EC 3.4.24.* (metalloendopeptidase) inhibitor. It is a monocarboxylic acid, a monocarboxylic acid amide and a dicarboxylic acid monoester. It is functionally related to a candoxatrilat and an indan-5-ol.

CAS Number	123122-55-4
PubChem CID	5362417
IUPAC Name	4-[[1-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-(2-methoxyethoxymethyl)-3-oxopropyl]cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
Molecular Formula	C29H41NO7
Molecular Weight	515.6
XLogP	4
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Heavy Atom Count	37
Formal Charge	0
Complexity	772

SMILES

COCCOC[C@H](CC1(CCCC1)C(=O)NC2CCC(CC2)C(=O)O)C(=O)OC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C29H41NO7/c1-35-15-16-36-19-23(27(33)37-25-12-9-20-5-4-6-22(20)17-25)18-29(13-2-3-14-29)28(34)30-24-10-7-21(8-11-24)26(31)32/h9,12,17,21,23-24H,2-8,10-11,13-16,18-19H2,1H3,(H,30,34)(H,31,32)/t21?,23-,24?/m0/s1

InChIKey

ZTWZVMIYIIVABD-RZMWZJFBSA-N

Chemical Structure

2D Structure

CAS: 123122-55-4

CID: 5362417

Formula: C29H41NO7

MW: 515.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	515.6
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	13
Exact Mass	515.28830265
Monoisotopic Mass	515.28830265
Topological Polar Surface Area	111 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	772
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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
MBS3845136-01	Candoxatril
A20694-50	Candoxatril 50mg
A20694-25	Candoxatril 25mg
A20694-5	Candoxatril 5mg
A20694-100	Candoxatril 100mg
A20694-10	Candoxatril 10mg
A20694-1	Candoxatril 1mg
AR-C05931-01	N-Nitroso Candoxatril

Candoxatril

Chemical Information

Alternative Products

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