1,1′-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] hydrochloride (1:8)
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![1,1′-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] hydrochloride (1:8) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/20998ac1e7204b79880c9a42c923aa07.png "1,1′-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] hydrochloride (1:8)")
1,1′-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] hydrochloride (1:8)
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CAS No:
155148-31-5
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Formula:
C28H54N8.8ClH
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Chemical Name:
1,1′-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] hydrochloride (1:8)
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Synonyms:
1,4,8,11-Tetraazacyclotetradecane,1,1′-[1,4-phenylenebis(methylene)]bis-,hydrochloride (1:8);1,4,8,11-Tetraazacyclotetradecane,1,1′-[1,4-phenylenebis(methylene)]bis-,octahydrochloride;1,1′-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] hydrochloride (1:8);JM 3100;SID 791;AMD 3100;Plerixafore 8HCl;AMD 3100 octahydrochloride
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CAS No:
1,1′-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] hydrochloride (1:8) Basic Attributes
502.78
826.281677
1592732-453-0
OD49913540
Characteristics
78.66000
8.68040
solid
0.962g/cm3
657.5ºC at 760mmHg
361.8ºC
H2O: ≥10 mg/mL, clear
−20°C
2.85E-33mmHg at 25°C
Drug Information
Agents used to treat AIDS and/or stop the spread of the HIV infection. These do not include drugs used to treat symptoms or opportunistic infections associated with AIDS. (See all compounds classified as Anti-HIV Agents.)
1,1'-(1,4-phenylenebis(methylene))bis(1,4,8,11-tetraazacyclotetradecane)octahydrochloride dihydrate
1,1′-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] hydrochloride (1:8) Use and Manufacturing
A specific CXCR4 antagonist.
Computed Properties
Molecular Weight:794.5
Hydrogen Bond Donor Count:14
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:4
Exact Mass:794.254665
Monoisotopic Mass:790.260566
Topological Polar Surface Area:78.7
Heavy Atom Count:44
Complexity:456
Covalently-Bonded Unit Count:9
Compound Is Canonicalized:Yes
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1,1′-[1,4-Phenylenebis(methylene)]bis[1,4,8,11-tetraazacyclotetradecane] hydrochloride (1:8)
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