basic_info |
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Product_Name: | 西罗莫司脂化物 |
CAS: | 162635-04-3 |
中文同义词: | 西罗莫司脂化物 |
EnglishSynonyms: | 42-[3-HYDROXY-2-(HYDROXYMETHYL)-2-METHYLPROPANOATE]-RAPAMYCIN ; TEMSIROLIMUS (CCI-779, NSC 683864) ; CCI-779 ; RAPAMYCIN 42-[3-HYDROXY-2-(HYDROXYMETHYL)-2-METHYLPROPANOATE ; RAPAMYCIN 42-[3-HYDROXY-2-METHYLPROPANOATE] ; TORISEL ; CCL-779 ; TEMSIROLIMUS |
pro_mdlNumber: | MFCD00934421 |
pro_acceptors: | 17 |
pro_donors: | 4 |
pro_smile: | C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OC(=O)C(C)(CO)CO)C)/C)O)OC)C)C)/C)OC |
InChi: | InChI=1S/C56H87NO16/c1-33-17-13-12-14-18-34(2)45(68-9)29-41-22-20-39(7)56(67,73-41)51(63)52(64)57-24-16-15-19-42(57)53(65)71-46(30-43(60)35(3)26-38(6)49(62)50(70-11)48(61)37(5)25-33)36(4)27-40-21-23-44(47(28-40)69-10)72-54(66)55(8,31-58)32-59/h12-14,17-18,26,33,35-37,39-42,44-47,49-50,58-59,62,67H,15-16,19-25,27-32H2,1-11H3/b14-12+,17-13+,34-18+,38-26+/t33-,35-,36-,37-,39-,40+,41+,42+,44-,45+,46+,47-,49-,50+,56-/m1/s1 |
InChiKey: | InChIKey=CBPNZQVSJQDFBE-FUXHJELOSA-N |
property |
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Comments: | MERCK: 14,9142 TSCA: N UNSPSC: 12000000 |
secure_info |
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secure_symbol: |
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secure_signal_word: | Danger |
secure_risk_stmt: | H301 |
secure_cautionary_stmt: | P301 + P310 |
secure_wgk_germany: | 3 |
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