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Ulixertinib hydrochloride

CAS No.:
1956366-10-1
Catalog Number:
AG01EN3G
Molecular Formula:
C21H23Cl3N4O2
Molecular Weight:
469.7919
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$105
- +
5mg
≥98%
1 week
United States
$251
- +
10mg
≥98%
1 week
United States
$422
- +
25mg
≥98%
1 week
United States
$665
- +
Product Description
Catalog Number:
AG01EN3G
Chemical Name:
Ulixertinib hydrochloride
CAS Number:
1956366-10-1
Molecular Formula:
C21H23Cl3N4O2
Molecular Weight:
469.7919
MDL Number:
MFCD22543853
IUPAC Name:
N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyridin-4-yl]-1H-pyrrole-2-carboxamide;hydrochloride
InChI:
InChI=1S/C21H22Cl2N4O2.ClH/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13;/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29);1H/t19-;/m1./s1
InChI Key:
DKGYQCPFBWFTHM-FSRHSHDFSA-N
SMILES:
OC[C@H](c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1cc(ncc1Cl)NC(C)C.Cl
UNII:
3K792HRQ8B
Properties
Complexity:
539  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
468.089g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
469.791g/mol
Monoisotopic Mass:
468.089g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
90A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties