List 69063-86-1
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pro_cdbregno :
CCD00250136
pro_cas : 69063-86-1
pro_molName : CAFERGOT
pro_mdlNumber : MFCD01746243
pro_formula : 2 C33 H35 N5 O5 . C8 H10 N4 O2 . C4 H6 O6
pro_molWeight : 1507.62
Synonyms :
CAFERGOT;
Mol : CAFERGOT.mol
pro_cas : 69063-86-1
pro_molName : CAFERGOT
pro_mdlNumber : MFCD01746243
pro_formula : 2 C33 H35 N5 O5 . C8 H10 N4 O2 . C4 H6 O6
pro_molWeight : 1507.62
Synonyms :
CAFERGOT;
Mol : CAFERGOT.mol
* If the product has intellectual property rights, a license granted is must or contact us.
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| Product_Name： | CAFERGOT |
| CAS： | 69063-86-1 |
| EnglishSynonyms： | CAFERGOT |
| pro_mdlNumber： | MFCD01746243 |
| pro_acceptors： | 10 |
| pro_donors： | 3 |
| pro_smile： | C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C.C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)NC(=O)[C@H]5CN([C@@H]6Cc7c[nH]c8c7c(ccc8)C6=C5)C.Cn1cnc2c1c(=O)n(c(=O)n2C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| InChi： | InChI=1S/2C33H35N5O5.C8H10N4O2.C4H6O6/c2*1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;5-1(3(7)8)2(6)4(9)10/h2*3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39);4H,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t2*21-,25-,26+,27+,32-,33+;;1-,2-/m11.1/s1 |
| InChiKey： | InChIKey=PEWRLIGZFFHOFA-YDUHQPPSSA-N |
basic_info
* If the product has intellectual property rights, a license granted is must or contact us.