Basic Information |
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| Product Name： | DOCETAXEL |
| CAS： | 196404-55-4 ;114915-14-9 ;114977-28-5 ;125354-16-7 ;148408-66-6 |
| English Synonyms： | 7-EPI-10-OXO-DOCETAXEL ; N-DEBENZOYL-N-BOC-10-DEACETYL TAXOL ; DOCETAXEL ; DOCETAXEL(TAXOTERE) ; DOCETAXEL, 99+% ; (1BETA,2ALPHA,5BETA,7BETA,10BETA,13ALPHA)-4-ACETOXY-13-([(2R,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-HYDROXY-3-PHENYLPROPANOYL]OXY)-1,7 ; DOCETAXEL (TRIHYDRATE) ; 1,7BETA,10BETA-TRIHYDROXY-9-OXO-5BETA,20-EPOXYTAX-11-ENE-2ALPHA,4,13ALPHA-TRIYL 4-ACETATE 2-BENZOATE 13-((2R,3S)-3-[(TERT-BUTOXYCARBONYL)AMINO]-2-HYDROXY-3-PHENYLPROPANOATE) ; TAXOTERE ; N-DEBENZOYL-N-TERT-BUTOXYCARBONYL-10-DEACETYL TAXOL ; (4S,5R)-3-TERT-BUTOXYCARBONY-2-(4-ANISY)-4-PHENYL-5-OXAZOLIDINECARBOXYLIC ACID ; DOCETAXEL TRIHYDRATE ; 7-EPI-DOCETAXEL |
| MDL Number.： | MFCD00800737 |
| H bond acceptor： | 15 |
| H bond donor： | 5 |
| Smile： | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)OC(C)(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)O |
| InChi： | InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43-/m0/s1 |
| InChiKey： | InChIKey=ZDZOTLJHXYCWBA-BSEPLHNVSA-N |
Property |
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| Melting Point： | 186-192 DEG C/186-191 °C |
| Comments： | MERCK: 14,3397 RTECS: DA4172750 UNSPSC: 12000000 |
Safety information |
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| WGK Germany： | 3 |
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