NK-611 HYDROCHLORIDE

CAS No.
105760-98-3
CCD No.
CCD01805445
Formula
C31 H37 N O12 . Cl H
MolWeight
652.089

Basic Information

Product Name: NK-611 HYDROCHLORIDE
CAS: 105760-98-3
English Synonyms: NK-611 HYDROCHLORIDE ; NK 611
MDL Number.: MFCD12756305
H bond acceptor: 13
H bond donor: 2
Smile: C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@@H]3c4cc5c(cc4[C@H]([C@@H]6[C@@H]3COC6=O)c7cc(c(c(c7)OC)O)OC)OCO5)N(C)C)O.Cl
InChi: InChI=1S/C31H37NO12.ClH/c1-13-38-11-22-29(42-13)27(34)25(32(2)3)31(43-22)44-28-16-9-19-18(40-12-41-19)8-15(16)23(24-17(28)10-39-30(24)35)14-6-20(36-4)26(33)21(7-14)37-5;/h6-9,13,17,22-25,27-29,31,33-34H,10-12H2,1-5H3;1H/t13-,17+,22-,23-,24+,25-,27-,28-,29-,31+;/m1./s1
InChiKey: InChIKey=PYLTTZZOZBYUEI-YRQLFVATSA-N

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