3-Amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxypropanamide sulfat e (1:1)（CAS号：67814-76-0）

硫酸异帕米星

基本信息

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CAS号

67814-76-0

分子式

C22H45N5O16S

分子量

667.69 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醚类

基础化工原料有机化学品胺类

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

熔点

235-242°C

比旋光度

+110.9° (c=1, H2O as the disulfate hydrate)

SMILES

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CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)NC(=O)C(CN)O)O.OS(=O)(=O)O

InChI

InChI=1S/C22H43N5O12.H2O4S/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21;1-5(2,3)4/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34);(H2,1,2,3,4)/t7-,8+,9?,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-;/m0./s1

InChIKey

DDXRHRXGIWOVDQ-HTKRIHMCSA-N

LogP

-8.177200000000017

拓扑极性表面积

372.32000000000005 Å²

氢键供体/受体

17 / 21

复杂度

899

安全信息

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危险说明

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

毒性

LD50 in male, female mice, rats (mg/kg): 234, 236, 489, 476 i.v.; 3312, 3320, 3451, 3392 s.c.; >5000 orally both species (Morino)

同义词与引用数据

英文

Q27277543
(S)-3-Amino-N-((1R,2S,3S,4R,5S)-5-amino-4-(((2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(((2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxypropanamide sulfate
Isepamicin sulfate (JP17)
CCG-270352
Sch 21420 (sulfate)
(2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide;sulfuric acid
Isepamicin sulfate [MI]
Isepamicine sulphate
Isepacin (TN)
D-Streptamine, O-6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1->6))-N1-((2S)-3-amino-2-hydroxy-1-oxopropyl)-2-deoxy-, sulfate (1:1) (salt)
D-STREPTAMINE, O-6-AMINO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-(3-DEOXY-4-C-METHYL-3-(METHYLAMINO)-.BETA.-L-ARABINOPYRANOSYL-(1->6))-N1-((3S)-3-AMINO-2-HYDROXY-1-OXOPROPYL)-2-DEOXY-, SULFATE (SALT)
(S)-3-Amino-N-((1R,2S,3S,4R,5S)-5-amino-4-(((2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2-(((2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)tetrahydro-2H-pyran-2-yl)oxy)-3-hydroxycyclohexyl)-2-hydroxypropanamide sulf
Isepamicin (sulfate)
s4271
UNII-F2L211KBUV
Isepamicin monosulfate
Isepamicin sulfate, VETRANAL(TM), analytical standard
Isepamicin sulfate [JAN]
Isepamicin sulphate
MFCD01683537
Isepamicin sulfate [WHO-DD]
D-Streptamine, O-6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1->6))-N1-((3S)-3-amino-2-hydroxy-1-oxopropyl)-2-deoxy-, sulfate (salt)
CHEBI:31722
D-STREPTAMINE, O-6-AMINO-6-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-(3-DEOXY-4-C-METHYL-3-(METHYLAMINO)-.BETA.-L-ARABINOPYRANOSYL-(1->6))-N1-((2S)-3-AMINO-2-HYDROXY-1-OXOPROPYL)-2-DEOXY-, SULFATE (1:1) (SALT)
Ispallin
Isepamicine (Isepamycin
Exacin
Isepamicine Sulphate;sch21420 Sulphate
AKOS025311241
F2L211KBUV
sch21420) Sulphate