RETASPIMYCIN ,857402-23-4 _Chemical Cloud Database

RETASPIMYCIN

Basic Information
Product Name：	RETASPIMYCIN
CAS：	857402-23-4 ;857402-63-2
English Synonyms：	IPI-504 HYDROCHLORIDE ; IPI-504 ; RETASPIMYCIN ; RETASPIMYCIN (HYDROCHLORIDE) ; 17-AAG HYDROQUINONE HYDROCHLORIDE ; 17-ALLYLAMINO-17-DEMETHOXYGELDANAMYCIN HYDROQUINONE HYDROCHLORIDE
MDL Number.：	MFCD13194585
H bond acceptor：	11
H bond donor：	6
Smile：	C[C@@H]1Cc2c(c(cc(c2O)NC(=O)/C(=C/CC[C@@H]([C@H](/C(=C/[C@@H]([C@H]([C@H](C1)OC)O)C)/C)OC(=O)N)OC)/C)O)NCC=C.Cl
InChi：	InChI=1S/C31H47N3O8.ClH/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35;/h8,10,15-17,19,24-25,27,29,33,35-37H,1,9,11-14H2,2-7H3,(H2,32,39)(H,34,38);1H/b18-10+,20-15+;/t17-,19+,24+,25+,27-,29+;/m1./s1
InChiKey：	InChIKey=QXGFPFUJTZLMIZ-SXRRHKQISA-N
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