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Home Other Building Blocks Amiselimod hydrochloride

Amiselimod hydrochloride

CAS No.:
942398-84-7
Catalog Number:
AG00GUB2
Molecular Formula:
C19H31ClF3NO3
Molecular Weight:
413.9025
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$94
- +
5mg
≥95%
1 week
United States
$189
- +
10mg
≥95%
1 week
United States
$282
- +
25mg
≥95%
1 week
United States
$432
- +
Product Description
Catalog Number:
AG00GUB2
Chemical Name:
Amiselimod hydrochloride
CAS Number:
942398-84-7
Molecular Formula:
C19H31ClF3NO3
Molecular Weight:
413.9025
MDL Number:
MFCD30489749
IUPAC Name:
2-amino-2-[2-[4-heptoxy-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol;hydrochloride
InChI:
InChI=1S/C19H30F3NO3.ClH/c1-2-3-4-5-6-11-26-17-8-7-15(12-16(17)19(20,21)22)9-10-18(23,13-24)14-25;/h7-8,12,24-25H,2-6,9-11,13-14,23H2,1H3;1H
InChI Key:
GEDVJGOVRLHFQG-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1C(F)(F)F)CCC(CO)(CO)N.Cl
UNII:
AY898D6RU1
Properties
Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.194g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
413.906g/mol
Monoisotopic Mass:
413.194g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Amiselimod, a novel sphingosine 1-phosphate receptor-1 modulator, has potent therapeutic efficacy for autoimmune diseases, with low bradycardia risk. British journal of pharmacology 20170101
Properties