Carcinine

CAT: 0931-T22624-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T22624-02Size:50 mg

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CAS Number

56897-53-1

Target

Others, Histamine Receptor

Related Pathways

Neuroscience, Others, Immunology/Inflammation, GPCR/G Protein

Bioactivity

Carcinine is a H3 receptor antagonist.

Smiles

C(CNC(CCN)=O)C1=CN=CN1

Molecular Formula

C8H14N4O

Molecular Weight

182.22

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Carcinine

Carcinine is a beta-alanine derivative that is the amide obtained by formal condensation of the carboxy group of beta-alanine with the primary amino group of histamine. It has a role as an antioxidant and a crustacean metabolite. It is a beta-alanine derivative, a member of imidazoles and a monocarboxylic acid amide. It is functionally related to a histamine. It is a conjugate base of a carcininium.

CAS Number	56897-53-1
PubChem CID	2574
IUPAC Name	3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
Molecular Formula	C8H14N4O
Molecular Weight	182.22
XLogP	-1.5
Topological Polar Surface Area	83.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	162

SMILES

C1=C(NC=N1)CCNC(=O)CCN

InChI

InChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13)

InChIKey

ANRUJJLGVODXIK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56897-53-1

CID: 2574

Formula: C8H14N4O

MW: 182.22

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	182.22
XLogP3	-1.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	182.11676108
Monoisotopic Mass	182.11676108
Topological Polar Surface Area	83.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	162
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

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T6475	(±) -Carnitine chloride
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T23854-01	Carbidine dihydrochloride
T84847-01	D-Carnitine
TN11276-01	Adipoyl-L-carnitine
T20123-01	L-Carnitine hydrochloride
T200420-01	Decanoyl-L-carnitine
T20193-01	L-Carnitine tartrate

Alternative Products

Catalog	Name
4026204.0250	Carcinine
HY-107567B-01	Carcinine (dihydrochloride)
57022-38-5	Carcinine Dihydrochloride
AR-C06210-01	Carcinine DiHCl
254883	Carcinine ditrifluoroacetate
MBS5773300	Carcinine ditrifluoroacetate Acetate
AR-C06208-01	N1-Nitroso Carcinine
AR-C06209-01	N3-Nitroso Carcinine

Carcinine

Chemical Information

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