Emamectin B1 Benzoate (Mixture of B1a and B1b)（CAS号：137512-74-4）

甲胺基阿维菌素苯甲酸盐

基本信息

在编辑器中查看

CAS号

137512-74-4

分子式

C56H81NO15

分子量

1008.26 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

熔点

146-150°C

比旋光度

D -6.9° (c = 0.5% in methanol)

SMILES

在编辑器中查看

CCC(C)C1C(C=CC2(O1)C[C@@H]3CC(O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\COC5C4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@H]([C@H](C(O6)C)O[C@H]7C[C@H]([C@@H](C(O7)C)NC)OC)OC)\C)C.c1ccc(cc1)C(=O)O

InChI

InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26?,27-,29?,31?,32?,34?,35-,36-,37+,38+,39-,40-,41?,42+,43-,44?,45-,46?,48?,49?;/m0./s1

InChIKey

GCKZANITAMOIAR-RMNOYWIUSA-N

LogP

6.989300000000008

pKa

4.2; 7.6(at 25℃)

拓扑极性表面积

199.16 Å²

氢键供体/受体

4 / 16

复杂度

1850

安全信息

查看安全信息

毒性

LD50 in mallard ducks, northern bobwhite quail (mg/kg): 76, 264 orally (Chukwudebe)

同义词与引用数据

英文

Methylamino abamectin benzoate
(4''R)-4''-Deoxy-4''-(methylamino)-avermectin B1 benzoate(salt)
Avermectin b1, 4''-deoxy-4''-(methylamino)-, (4''R)-,benzoate (salt)
(4''r)-4''-deoxy-4''-(methylamino)avermectin b1 benzoate
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylammonio)-α-L-arabino-hexopyranosyl]-α-L-arabino-hexopyranoside benzoate
(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-[(2R)-2-Butanyl]-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-12'-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylammonio)-β-L-arabino-hexopyranosyl]-β-L-arabino-hexopyranoside benzoate
Emanectin Benzoate
Epimethylamino-4''-deoxyavermectin b1a and b1b benzoates
emamectin,benzoate
Emamectin B1 Benzoate (Mixture of B1a and B1b)