17-AAG

CAS No.
75747-14-7
CCD No.
CCD00480317
Formula
C31 H43 N3 O8
MolWeight
585.694

Basic Information

Product Name: 17-AAG
CAS: 75747-14-7
English Synonyms: 17-(ALLYLAMINO)-17-DESMETHOXYGELDANAMYCIN ; 17-AG ; TELATINIB ; 17-ALLYLAMINOGELDANAMYCIN ; 17-ALLYLAMINO-17-DIMETHOXYGELDANAMYCIN ; 17-(ALLYLAMINO)-17-DEMETHOXYGELDANAMYCIN ; GELDANAMYCIN,17-DEMETHOXY-17-(2-PROPENYLAMINO)- ; TEKATINIB ; 17-AAG ; TANESPIMYCIN ; 17-DEMETHOXY-17-ALLYLAMINO GELDANAMYCIN ; ALLYLAMINOGELDANAMYCIN ; GELDANAMYCIN
MDL Number.: MFCD04973892
H bond acceptor: 11
H bond donor: 4
Smile: C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC
InChi: InChI=1S/C31H43N3O8/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/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
InChiKey: InChIKey=AYUNIORJHRXIBJ-TXHRRWQRSA-N

Property

Safety information

WGK Germany: 3

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