Aminopotentidine

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CAT#:0024-sc-203817ASize:1 mg

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CAS Number

140873-26-3

Chemical Information

Aminopotentidine

Aminopotentidine is a benzamide obtained by formal condensation of the carboxy group of 4-aminobenzoic acid with the primary amino group of 1-(2-aminoethyl)-2-cyano-3-{3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}guanidine. It has a role as a H2-receptor antagonist. It is a nitrile, a member of benzamides, a member of guanidines, a member of piperidines, an aromatic ether and a substituted aniline.

CAS Number	140873-26-3
PubChem CID	164435
IUPAC Name	4-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide
Molecular Formula	C26H35N7O2
Molecular Weight	477.6
XLogP	2.5
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Heavy Atom Count	35
Formal Charge	0
Complexity	693

SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OCCCN=C(NCCNC(=O)C3=CC=C(C=C3)N)NC#N

InChI

InChI=1S/C26H35N7O2/c27-20-32-26(31-14-13-29-25(34)22-8-10-23(28)11-9-22)30-12-5-17-35-24-7-4-6-21(18-24)19-33-15-2-1-3-16-33/h4,6-11,18H,1-3,5,12-17,19,28H2,(H,29,34)(H2,30,31,32)

InChIKey

CICDSYWWNDGAGD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 140873-26-3

CID: 164435

Formula: C26H35N7O2

MW: 477.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	477.6
XLogP3	2.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	13
Exact Mass	477.28522338
Monoisotopic Mass	477.28522338
Topological Polar Surface Area	128 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	693
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
574332	Aminopotentidine

Aminopotentidine

Chemical Information

Alternative Products

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