Diamsar (hydrochloride)

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Description

Diamsar hydrochloride is a bifunctional chelator[1].

CAS Number

139265-92-2

UNSPSC

12352200

Target

Biochemical Assay Reagents

Type

Biochemical Assay Reagents

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/diamsar-hydrochloride.html

Solubility

10 mM in DMSO

Smiles

NC12CNCCNCC(CNCCNC1)(CNCCNC2)N.Cl.Cl.Cl.Cl.Cl

Molecular Formula

C14H39Cl5N8

Molecular Weight

496.78

References & Citations

[1]Jadvar H, et al. Preclinical evaluation of a 64Cu-labeled disintegrin for PET imaging of prostate cancer. Amino Acids. 2019 Nov;51 (10-12) :1569-1575.

Shipping Conditions

Room temperature

Scientific Category

Biochemical Assay Reagents

Clinical Information

No Development Reported

Chemical Information

Diamsar (hydrochloride)

CAS Number	139265-92-2
PubChem CID	171038252
IUPAC Name	3,6,10,13,16,19-hexazabicyclo[6.6.6]icosane-1,8-diamine;pentahydrochloride
Molecular Formula	C14H39Cl5N8
Molecular Weight	496.8
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Heavy Atom Count	27
Formal Charge	0
Complexity	238

SMILES

C1CNCC2(CNCCNCC(CN1)(CNCCNC2)N)N.Cl.Cl.Cl.Cl.Cl

InChI

InChI=1S/C14H34N8.5ClH/c15-13-7-17-1-2-18-8-14(16,11-21-5-3-19-9-13)12-22-6-4-20-10-13;;;;;/h17-22H,1-12,15-16H2;5*1H

InChIKey

KSJDZSBBNOWQCZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 139265-92-2

CID: 171038252

Formula: C14H39Cl5N8

MW: 496.8

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	496.8
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	0
Exact Mass	496.171082
Monoisotopic Mass	494.174032
Topological Polar Surface Area	124 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	238
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	6
Compound Is Canonicalized	Yes

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Diamsar (hydrochloride)

Chemical Information

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