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Chemical Name: Benzenemethanamine, 2-amino-3,5-dibromo-N-cyclohexyl-N-methyl- Synonyms

  • Bromhexine
AIDS# 001646
Click For Structure Based Search Links to ChemID Plus by CAS#

611-75-6 [HYDROCHLORIDE]

32184-12-6 [X HYDROCHLORIDE]

3572-43-8

Links to PubChem by AIDS#

001646


MONOHYDROCHLORIDE; X HYDROCHLORIDE 
C14 H20 Br2 N2  MW: 376.13 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 2 PHIA (Flexible Bonds): 5.24 Calc. LogP
(MDL QSAR): 3.76
Company:  Calc. LogP
(KowWin): 4.88

Lines of Data: 1
Anti-HIV Enzyme data: 0

Lines of Data: 2
TB Min MIC

  6.25  ug/mL
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 1
Number of References: 0

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: ANTITUBERCULOUS AGENTS; BENZYLAMINES; MUCOLYTIC AGENTS

 

Chemical Name: Benzalkonium chloride Synonyms

  • Zephiran chloride
  • BTC
  • Germitol
  • Capitol
  • Zephiral
  • Benzalkonium chloride
AIDS# 006137
Click For Structure Based Search Links to ChemID Plus by CAS#

8001-54-5

Links to PubChem by AIDS#

006137


R=C8H17 TO C18H37; MIXTURE OF ALKYLDIMETHYLBENZYLAMMONIUM CHLORIDE 
C9 H13 N R . Cl  MW: 170.66 Links to PubMed by CAS#

H-bond donors: H-bond acceptors: PHIA (Flexible Bonds): Calc. LogP
(MDL QSAR):
Company:  XTTRIUM; ALCON; GEIGY; CNRS Calc. LogP
(KowWin): 

Lines of Data: 5
Anti-HIV Enzyme data: 0

Lines of Data: 23
TB Min MIC

  8  ug/mL
TB Min IC50

   
Links to NIST by AIDS#


Number of References: 3
Number of References: 0

Number of References: 4
Lipinski:                         (Score, out of 4)
Classes: ANTITUBERCULOUS AGENTS; VIRUCIDAL AGENTS; BENZYLAMINES; ANTIMYCOBACTERIALS

 

Chemical Name: N-p-tert-Butylbenzyl-N-methyl-1-naphthalenemethylamine Synonyms

  • Butenafine
  • Butenafine hydrochloride
  • KP-363
AIDS# 008659
Click For Structure Based Search Links to ChemID Plus by CAS#

101828-21-1

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008659


HYDROCHLORIDE SALT 
C23 H27 N  MW: 317.47 Links to PubMed by CAS#

H-bond donors: 0 H-bond acceptors: 1 PHIA (Flexible Bonds): 4.73 Calc. LogP
(MDL QSAR): 6.19
Company:  KAKEN PHARMACEUTICAL CO., LTD. Calc. LogP
(KowWin): 6.54
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 11
TB Min MIC

   
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 3
Lipinski:    3                     (Score, out of 4)
Classes: BENZYLAMINES

 

Chemical Name: Benzenemethanamine Synonyms

  • Benzylamine
AIDS# 011068
Click For Structure Based Search Links to ChemID Plus by CAS#

100-46-93287-99-8 [HYDROCHLORIDE]

Links to PubChem by AIDS#

011068


HYDROCHLORIDE 
C7 H9 N  MW: 107.16 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 1 PHIA (Flexible Bonds): 1.65 Calc. LogP
(MDL QSAR): 0.99
Company:  Calc. LogP
(KowWin): 1.07
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 4
TB Min MIC

  76.8  ug/mL
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 3
Lipinski:    4                     (Score, out of 4)
Classes: BENZYLAMINES

 

Chemical Name: Benzenemethanamine, N-methyl- Synonyms

  • Benzylamine der
AIDS# 011069
Click For Structure Based Search Links to ChemID Plus by CAS#

13426-94-3 [HYDROCHLORIDE]

103-67-3

Links to PubChem by AIDS#

011069


HYDROCHLORIDE 
C8 H11 N  MW: 121.18 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 1 PHIA (Flexible Bonds): 2.28 Calc. LogP
(MDL QSAR): 1.61
Company:  Calc. LogP
(KowWin): 1.54
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 2
TB Min MIC

  102.4  ug/mL
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 2
Lipinski:    4                     (Score, out of 4)
Classes: BENZYLAMINES

 

Chemical Name: Benzenemethanamine, N-ethyl- Synonyms

  • Benzylamine der
AIDS# 011070
Click For Structure Based Search Links to ChemID Plus by CAS#

14321-27-85417-36-7 [HYDROCHLORIDE]

Links to PubChem by AIDS#

011070


HYDROCHLORIDE 
C9 H13 N  MW: 135.21 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 1 PHIA (Flexible Bonds): 2.97 Calc. LogP
(MDL QSAR): 1.91
Company:  Calc. LogP
(KowWin): 2.03
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 1
TB Min MIC

  204.8  ug/mL
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: BENZYLAMINES

 

Chemical Name: Benzenemethanamine, N-propyl- Synonyms

  • Benzylamine der
AIDS# 011071
Click For Structure Based Search Links to ChemID Plus by CAS#

23510-22-7 [HYDROCHLORIDE]

2032-33-9

Links to PubChem by AIDS#

011071


HYDROCHLORIDE 
C10 H15 N  MW: 149.24 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 1 PHIA (Flexible Bonds): 3.7 Calc. LogP
(MDL QSAR): 2.35
Company:  Calc. LogP
(KowWin): 2.52
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 2
TB Min MIC

  51.2  ug/mL
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 2
Lipinski:    4                     (Score, out of 4)
Classes: BENZYLAMINES

 

Chemical Name: Benzenemethanamine, N-butyl- Synonyms

  • Benzylamine der
AIDS# 011072
Click For Structure Based Search Links to ChemID Plus by CAS#

18618-49-0 [HYDROCHLORIDE]

2403-22-7

Links to PubChem by AIDS#

011072


HYDROCHLORIDE 
C11 H17 N  MW: 163.26 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 1 PHIA (Flexible Bonds): 4.47 Calc. LogP
(MDL QSAR): 2.78
Company:  Calc. LogP
(KowWin): 3.01
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 2
TB Min MIC

  51.2  ug/mL
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 2
Lipinski:    4                     (Score, out of 4)
Classes: BENZYLAMINES

 

Chemical Name: Benzenemethanamine, N-pentyl- Synonyms

  • Benzylamine der
AIDS# 011073
Click For Structure Based Search Links to ChemID Plus by CAS#

25468-43-390389-36-9 [HYDROCHLORIDE]

Links to PubChem by AIDS#

011073


HYDROCHLORIDE 
C12 H19 N  MW: 177.29 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 1 PHIA (Flexible Bonds): 5.27 Calc. LogP
(MDL QSAR): 3.24
Company:  Calc. LogP
(KowWin): 3.5
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 1
TB Min MIC

  153.6  ug/mL
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 1
Lipinski:    4                     (Score, out of 4)
Classes: BENZYLAMINES

 

Chemical Name: Benzenemethanamine, N-octyl- Synonyms

  • Benzylamine der
AIDS# 011074
Click For Structure Based Search Links to ChemID Plus by CAS#

90389-39-2 [HYDROCHLORIDE]

1667-16-9

Links to PubChem by AIDS#

011074


HYDROCHLORIDE 
C15 H25 N  MW: 219.37 Links to PubMed by CAS#

H-bond donors: 1 H-bond acceptors: 1 PHIA (Flexible Bonds): 7.79 Calc. LogP
(MDL QSAR): 4.58
Company:  Calc. LogP
(KowWin): 4.97
Anti-HIV Cellular data: 0
Anti-HIV Enzyme data: 0

Lines of Data: 2
TB Min MIC

  250  ug/mL
TB Min IC50

   
Links to NIST by AIDS#

Number of References: 0
Number of References: 0

Number of References: 2
Lipinski:    4                     (Score, out of 4)
Classes: BENZYLAMINES

 

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