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Home Deuterated Building Blocks 117490-39-8
117490-39-8,MFCD12022334
Catalog No.:AA008SZM

117490-39-8 | Theophylline-d6

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥99% deuterated forms (d1-d6)
in stock  
$329.00   $230.00
- +
5mg
≥99% deuterated forms (d1-d6)
in stock  
$1,032.00   $722.00
- +
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Technical Information
Catalog Number:
AA008SZM
Chemical Name:
Theophylline-d6
CAS Number:
117490-39-8
Molecular Formula:
C7H2D6N4O2
Molecular Weight:
186.2010
MDL Number:
MFCD12022334
SMILES:
O=c1c2nc[nH]c2n(c(=O)n1C([2H])([2H])[2H])C([2H])([2H])[2H]
Properties
Computed Properties
 
Complexity:
267  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
6  

Literature
Quotation Request
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Additional Info:
SDS
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Tags:117490-39-8 Molecular Formula|117490-39-8 MDL|117490-39-8 SMILES|117490-39-8 Theophylline-d6