1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride dihydrate

Basic Information

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CAS Number

155148-31-5

Molecular Formula

C28H66Cl8N8O2

Molecular Weight

830.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

237-245°C

Solubility

H2O: ≥10 mg/mL, clear

SMILES

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C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3.Cl.Cl.Cl.Cl.Cl.Cl.Cl.Cl

InChI

InChI=1S/C28H54N8.8ClH.2H2O/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36;;;;;;;;;;/h5-8,29-34H,1-4,9-26H2;8*1H;2*1H2

InChIKey

USMXIXZBRZZOQH-UHFFFAOYSA-N

LogP

2.1408000000000045

Topological Polar Surface Area

141.66 Å²

Hydrogen Bond Donor/Acceptor

10 / 10

Complexity

456

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

C28H54N8.8HCl
OD49913540
DTXSID20935148
PLERIXAFOR OCTAHYDROCHLORIDE [WHO-DD]
CXCR4 Antagonist I, AMD3100 - CAS 155148-31-5
1,1'-[1,4-Phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane)--hydrogen chloride (1/8)
1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride
Plerixafor Hydrochloride (1:8)
P2620
1,1'-(1,4-Phenylenebis(methylene))bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride
AMD-3100 Octahydrochloride
AS-19545
1,1'-[1,4-PHENYLENEBIS(METHYLENE)]BIS[1,4,8,11-TETRAAZACYCLOTETRADECANE] HCL (1:8)
CCG-270485
1,1'-[1,4-Phenylenebis-(methylene)]- bis-(1,4,8,11-tetraazacyclotetradecane) octahydrochloride
AMD3100 octahydrochloride
Plerixafor 8HCl (AMD3100 8HCl)
UNII-OD49913540
CHEMBL2311028
AMD-3100
Plerixafor (octahydrochloride)
1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzeneoctahydrochloride
Plerixafor 8HCl (DB06809)
155148-31-5 (HCl)
HY-50912
SDZ-SID-791
1,1'-[1,4-Phenylenebis-(methylene)]-bis-(1,4,8,11-tetraazacyclotetradecane) octahydrochloride
JM 3100 8HCl
Plerixafor Octahydrochloride
1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane;octahydrochloride
Bicyclam

MDL Number

MFCD00927130

FAQ

What is 1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride dihydrate (CAS: 155148-31-5)?

1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride dihydrate, or CAS 155148-31-5, is a complex organic compound with potential applications in pharmaceuticals and research. It consists of a central 1,4-phenylene bridge connecting two 1,4,8,11-tetraazacyclotetradecane units, with octahydrochloride dihydrate ions attached.

What are the main uses of 1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride dihydrate (CAS: 155148-31-5)?

This compound is primarily used in research and development, particularly in pharmaceutical applications. It may serve as a ligand in coordination chemistry and as a potential intermediate in the synthesis of other compounds.

Is 1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride dihydrate (CAS: 155148-31-5) safe?

This compound is considered safe under normal usage conditions, but precautions should be taken. It is not flammable, but may cause skin irritation. Protective gloves and eye protection should be worn during handling. Storage and disposal should follow standard laboratory safety protocols.

How should 1,1'-[1,4-Phenylenebis(methylene)]bis-1,4,8,11-tetraazacyclotetradecane octahydrochloride dihydrate (CAS: 155148-31-5) be stored?

Store this compound in a cool, dry place, away from direct sunlight and heat sources. Keep in a tightly sealed container to prevent degradation. Avoid exposure to moisture and high temperatures. Handle with care to prevent spillage and ensure proper ventilation during use.