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Home Other Building Blocks 104757-53-1
104757-53-1,MFCD18409830
Catalog No.:AA007XHD

104757-53-1 | Barnidipine hydrochloride

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10mg
≥98%
in stock  
$36.00   $25.00
- +
50mg
≥98%
in stock  
$135.00   $94.00
- +
100mg
≥98%
in stock  
$193.00   $135.00
- +
1g
≥98%
in stock  
$1,795.00   $1,257.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007XHD
Chemical Name:
Barnidipine hydrochloride
CAS Number:
104757-53-1
Molecular Formula:
C27H30ClN3O6
Molecular Weight:
527.9966
MDL Number:
MFCD18409830
SMILES:
COC(=O)C1=C(C)NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)O[C@H]1CCN(C1)Cc1ccccc1)C.Cl
Properties
Computed Properties
 
Complexity:
917  
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
1  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1986,vol.29,p.2504-2511

104757-53-1    76093-33-9   
(S)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylicacid3-methylester5-(S)-pyrrolidin-3-ylester 
 
2,6-Dimethyl-4-(3-nitro-phenyl)-pyridine-3,5-dicarboxylicacid3-((S)-1-benzyl-pyrrolidin-3-yl)ester5-methylester 

[1]Xenobiotica,1997,vol.27,p.885-900

[1]JournalofMedicinalChemistry,1986,vol.29,p.2504-2511

[2]Molecules,2014,vol.19,p.1344-1352

[1]JournalofMedicinalChemistry,1986,vol.29,p.2504-2511

[1]Tamazawa,Kazuharu;Arima,Hideki;Koijma,Tadao;Isomura,Yasuo;Okada,Minoru;etal.[JournalofMedicinalChemistry,1986,vol.29,#12,p.2504-2511]

Literature

Title: van Zwieten PA, et al. Pharmacological profile of barnidipine: a single optical isomer dihydropyridine calcium antagonist. Blood Press Suppl. 1998;1:5-8.

Title: Malhotra HS, et al. Barnidipine. Drugs. 2001;61(7):989-96; discussion 997-8.

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