552292-08-7
ROLAPITANT
Name
ROLAPITANT
Formula
C25 H26 F6 N2 O2 . Cl H . H2 O
MolWeight
554.956
1Identification
【Name】
ROLAPITANT
【CAS】
【MDL】
MFCD19443696
【English Synonyms】
【Formula】
C25 H26 F6 N2 O2 . Cl H . H2 O
【MolWeight】
554.956
【Inchi】
InChI=1S/C25H26F6N2O2.ClH.H2O/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H;1H2/t16-,22-,23-;;/m1../s1
【InChIKey】
InChIKey=GZQWMYVDLCUBQX-WVZIYJGPSA-N
【SMILES】
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@]3(CCC(=O)N3)CN2)c4ccccc4.O.Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ROLAPITANT.cml
Quick Release
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Catalog No:DC8614 50mg
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Catalog No:DC8614 250mg
Country/Region:China
Business Type:Trading Company
http://www.dcchemicals.com
Dongchang Advanced Chemical Technology (Jiangsu) Co., Ltd
Catalog No:AD3928096TC 5G;25G;25G;100G
Country/Region:China
Business Type:Lab/Research institutions
http://www.advanced-chemtech.com/
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Catalog No:4816265 up to kgs
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