西罗莫司脂化物

pro_cas
162635-04-3
pro_cdbregno
CCD00180382
pro_formula
C56 H87 N O16
pro_molWeight
1030.29

basic_info

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

Comments: MERCK: 14,9142
TSCA: N
UNSPSC: 12000000

secure_info

secure_symbol: GHS06 GHS06
secure_signal_word: Danger
secure_risk_stmt: H301
secure_cautionary_stmt: P301 + P310
secure_wgk_germany: 3

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