Product Name :
Epertinib hydrochloride
Specifications & Purity :
99%
CAS :
2071195-74-7
Formula:
C30H28Cl2FN5O3
Molecular Weight :
596.48
MDL number:
Synonyms :
Epertinib HCl；S-222611 hydrochloride；S-222611 HCl
Shipped In:
Dry ice
IUPAC Name :
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(Z)-N-[[(3R)-morpholin-3-yl]methoxy]-C-prop-1-ynylcarbonimidoyl]quinazolin-4-amine;hydrochloride
INCHI :
InChI=1S/C30H27ClFN5O3.ClH/c1-2-4-27(37-40-18-24-17-38-12-11-33-24)21-7-9-28-25(14-21)30(35-19-34-28)36-23-8-10-29(26(31)15-23)39-16-20-5-3-6-22(32)13-20;/h3,5-10,13-15,19,24,33H,11-12,16-18H2,1H3,(H,34,35,36);1H/b37-27+;/t24-;/m1./s1
InChi Key:
NVWJPQQXBPWOOA-PLXRJBJVSA-N
Canonical SMILES:
CC#CC(=NOCC1COCCN1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl.Cl
Isomeric SMILES:
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