33 Mrv1652310201622512D 30 0 0 1 0 999 V2000型-1.4526 -6.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 -6.0569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8738 -5.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6902 -4.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -4.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1114 -3.3260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 -3.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7183 -3.6439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9019 -4.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1395-2.2785 - 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3512 -2.0353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 -1.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 -0.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -2.3533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2536 -2.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -3.4008 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8044 -0.1835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6087 0.0001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0 1.9666 0.7434 0.0000 C0 2 0 0 0 0 0 0 0 0 0 1.6087 1.4867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8044 1.6703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0361 0.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 1.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 0.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 2.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 2.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1231 2.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7916 0.7434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1231 -0.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 10 0 0 0 2 3 1 0 0 0 0 3 1 0 0 0 0 4 5 1 2 0 0 0 0 5 6 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 4 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 18日13 1 6 0 0 0 18 19日19 20 1 0 0 0 0 1 0 0 0 0 20 21 1 0 0 0 0 21日22日1 0 0 0 0 22 23 1 0 0 0 0 18 1 0 0 0 0 22日23日24 24 25 1 1 0 0 0 0 0 0 0 0 18 25 1 0 0 0 0 22日26日1 6 0 0 0 26日27日1 0 0 0 0 21 28 1 1 0 0 0 20 29 1 6 0 0 0 19 30 1 1 0 00 M END >
DB11827 >
drugbank >
CCOC1 = CC = C (CC2 = CC (= CC = C2Cl) [C@] 23摄氏度(C@) (CO) (O2) [C@@H] (O) [C@H] (O) [C@H] 3 O) C = C >
InChI = 1 s / C22H25ClO7 c1-2-28-16-6-3-13 (4-7-16) 9-14-10-15 (5-8-17 (14) 23) 22-20 (27) 18 (25) 19 (26) 21 (11-24 30-22) 12-29-22 / h3-8, 10日,18 - 20,24-27H, 2, 9日11-12H2, 1 h3 / t18 - 19 - 20 +, 21、22 / mo / s1 >
MCIACXAZCBVDEE-CUUWFGFTSA-N >
C22H25ClO7 >
436.89 >
436.1288808 >
7 >
55 >
44.94789547291394 >
1 >
4 >
0 >
1 >
(1 s, 2 s, 3 s, 4 r, 5 s) 5 - {4-chloro-3 - [(4-ethoxyphenyl)甲基]苯基}1 -(羟甲基)6、8-dioxabicyclo (3.2.1) octane-2, 3, 4-triol >
2.21 >
2.316586535666666 >
-3.57 >
1 >
4 >
0 >
12.960531929821933 >
11.980119103109944 >
-3.1476481593402514 >
108.61000000000001 >
109.06919999999997 >
6 >
1 >
1.19e-01 g/l >
(1 s, 2 s, 3 s, 4 r, 5 s) 5 - {4-chloro-3 - [(4-ethoxyphenyl)甲基]苯基}1 -(羟甲基)6、8-dioxabicyclo (3.2.1) octane-2, 3, 4-triol >
0 >
DB11827 >
批准;临床实验的>
Ertugliflozin >
Ertugliflozin >
Segluromet;Steglatro;Steglujan >
艾图列净pidolate $$$$