| CAS Number | 851536-75-9 |
| Catalog Number | AG00G7A3(AGN-PC-0UY7MP) |
| Chemical Name | Umirolimus |
| IUPAC Name | (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-(2-ethoxyethoxy)-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone |
| InChI | InChI=1S/C55H87NO14/c1-12-67-26-27-68-45-24-22-41(31-48(45)65-10)30-37(5)47-33-44(57)36(4)29-39(7)50(59)51(66-11)49(58)38(6)28-34(2)18-14-13-15-19-35(3)46(64-9)32-42-23-21-40(8)55(63,70-42)52(60)53(61)56-25-17-16-20-43(56)54(62)69-47/h13-15,18-19,29,34,36-38,40-43,45-48,50-51,59,63H,12,16-17,20-28,30-33H2,1-11H3/b15-13+,18-14+,35-19+,39-29+/t34-,36-,37-,38-,40-,41+,42+,43+,45-,46+,47+,48-,50-,51+,55-/m1/s1 |
| InChI Key | YYSFXUWWPNHNAZ-PKJQJFMNSA-N |
| MDL Number | MFCD22124433 |
| Molecular Formula | C55H87NO14 |
| Molecular Weight | 986.2776 |
| SMILES | O=C([C@]1([H])CCCCN1C(C([C@@]2(O)[C@H](C)CC[C@](C[C@H](OC)/C(C)=C/C=C/C=C/[C@H](C3)C)([H])O2)=O)=O)O[C@](CC([C@H](C)/C=C(C)/[C@@H](O)[C@@H](OC)C([C@@H]3C)=O)=O)([H])[C@H](C)C[C@@H]4CC[C@@H](OCCOCC)[C@H](OC)C4 |
| UNII | U36PGF65JH |
| Synonyms | 40-O-(2-ethoxyethyl)rapamycin,
42-O-(2-ethoxyethyl) rapamycin,
Biolimus A9,
rapamycin, 42-O-(2-ethoxyethyl)-,
TRM-986,
umirolimus,
Umirolimus,
UNII-U36PGF65JH,
U36PGF65JH,
Biolimus A9,
851536-75-9,
42-O-(2-ethoxyethyl) rapamycin,
Umirolimus [USAN:INN],
Biolimus, Biolimus A9, BA9,
CHEMBL2107380,
SCHEMBL17117902,
TRM 986,
TRM-986,
C55H87NO14,
Rapamycin, 42-O-(2-ethoxyethyl)-,
ZINC169677041,
X7251,
A9,
BA9,
|