SPIRAMYCIN（CAS号：8025-81-8）

螺旋霉素

基本信息

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CAS号

8025-81-8

分子式

C43H74N2O14

分子量

843.07 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醛类

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

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

物理状态

Amorphous

熔点

134-137°C

沸点

914℃

密度

1.2100

水溶性

Soluble in methanol. Slightly soluble in water

闪点

>110°(230°F)

溶解度

ethanol: 50 mg/mL, clear to slightly hazy, light-yellow

折射率

81 ° (C=2, 10% AcOH)

蒸气压

9.9X10-31 mm Hg at 25 °C (est)

比旋光度

D20 -80° (methanol)

SMILES

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CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C

InChI

InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1

InChIKey

ACTOXUHEUCPTEW-CEUOBAOPSA-N

LogP

2.3251000000000124

拓扑极性表面积

195.37999999999997 Å²

氢键供体/受体

4 / 16

复杂度

1370

安全信息

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GHS危险象形图

H303

危险说明

H303 吞咽可能有害
急性毒性-经口

毒性

LD50 in rats (mg/kg): 9400 orally; 1000 s.c.; 170 i.v. (Sous)

同义词与引用数据

英文

033ECH6IFG
HY-100593
NSC-55926
Leucomycin V, 9-O-((2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-
Provamycin
AB00514638
NSC-64393
Rovamycin
Spiramycin I (Contains up to 6% Spiramycin III)
8025-81-8
CCG-270525
NSC-758472
Rovamycine
DTXSID9023594
Foromacidin A
CHEMBL453514
Sequamycin
spiramycin
IL 5902
CS-8166
RP 5337
Rovamicina
[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-10-{[(2R,5S,6R)-5-(dimethylamino)-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxooxacyclohexadeca-11,13-dien-7-yl]acetaldehyde (non-preferred name)
Leucomycin V,9-O-[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]-
24916-50-5
s5744
SPIRAMYCIN I [MI]
2-[(4R, 5S, 6S, 7R, 9R, 10R, 11E, 13E, 16R)-6-[(2S, 3R, 4R, 5S, 6R)-5-[(2S, 4R, 5S, 6S)-4, 5-dihydroxy-4, 6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R, 5S, 6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxy-5-methoxy-9, 16-dimethyl-2-oxo-1-oxacyclohexadeca-11, 13-dien-7-yl]acetaldehyde
Espiramicin
Leucomycin V, 9-O-(5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl)-, (9(2R,5S,6R))-
UNII-033ECH6IFG