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Home Deuterated Building Blocks 1201918-15-1
1201918-15-1,MFCD01861560
Catalog No.:AA01EPLC

1201918-15-1 | N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]-glycine

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Purity
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Price(USD)
Quantity
  
1mg
≥99% deuterated forms (d1-d4)
in stock  
$152.00   $106.00
- +
5mg
≥99% deuterated forms (d1-d4)
in stock  
$668.00   $467.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA01EPLC
Chemical Name:
N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]-glycine
CAS Number:
1201918-15-1
Molecular Formula:
C26H39D4NO6
Molecular Weight:
469.6474
MDL Number:
MFCD01861560
SMILES:
O=C(CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)[C@@H](O)C[C@H]1[C@H]2[C@H](O)C[C@H]2[C@]1(C)CC([2H])([2H])[C@H](C2([2H])[2H])O)C)NCC(=O)O
Properties
Computed Properties
 
Complexity:
759  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
11  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
4  
Rotatable Bond Count:
6  
XLogP3:
2.9  

Literature

Title: Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.

Title: Lo YL, et al. Inhibit multidrug resistance and induce apoptosis by using glycocholic acid and epirubicin. Eur J Pharm Sci. 2008 Sep 2;35(1-2):52-67.

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SDS
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Tags:1201918-15-1 Molecular Formula|1201918-15-1 MDL|1201918-15-1 SMILES|1201918-15-1 N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl-2,2,4,4-d4]-glycine