(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-Trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one hydrochloride hydrate（CAS号：22189-32-8）

盐酸大观霉素五水合物

基本信息

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CAS号

22189-32-8

分子式

C14H27ClN2O8

分子量

386.83 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酮类

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

实验室化学品科研化学品生化试剂

基本物理性质

熔点

207°C(dec.)

沸点

583.1°C at 760 mmHg

密度

4.0420

水溶性

Soluble in water.Soluble in water, methanol, dimethyl sulfoxide, ethanol and dimethyl formamide.

闪点

306.4°C

溶解度

H2O: 50 mg/mL, clear, faintly yellow

比旋光度

D +14.8° (c = 0.42 in water)

SMILES

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CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.O.O.O.O.O.Cl.Cl

InChI

InChI=1S/C14H24N2O7.ClH.H2O/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;/h5,7-13,15-16,18-20H,4H2,1-3H3;1H;1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;/m1../s1

InChIKey

UJEMGEUVWHFXGB-XYQGXRRISA-N

LogP

-3.328499999999997

拓扑极性表面积

161.01000000000002 Å²

氢键供体/受体

7 / 10

复杂度

478

安全信息

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危险说明

H302 吞咽有害
急性毒性-经口

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

同义词与引用数据

英文

CHEMBL3989571
J-014576
SPECTINOMYCIN HYDROCHLORIDE [ORANGE BOOK]
Spectinomycin dihydrochloride pentahydrate
NSC-248616
CHEBI:9217
Spectinomycin dihydrochloride pentahydrate, >=98.0% (AT)
296JEI210Z
Spectam
4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, (2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-
SPECTINOMYCIN HYDROCHLORIDE HYDRATE [JAN]
SPECTINOMYCIN HYDROCHLORIDE [USAN]
4H-PYRANO(2,3-B)(1,4)BENZODIOXIN-4-ONE, DECAHYDRO-4A,7,9-TRIHYDROXY-2-METHYL-6,8-BIS(METHYLAMINO)-, HYDROCHLORIDE, HYDRATE (1:2:5), (2R,4AR,5AR,6S,7S,8R,9S,9AR,10AS)-
M 141
Z608353996
SPECTINOMYCIN DIHYDROCHLORIDE PENTAHYDRATE (EP MONOGRAPH)
Spectinomycin dihydrochloride pentahydrate, powder, BioReagent, suitable for cell culture
D00869
4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, dihydrochloride, (2R-(2-alpha,4a-beta,5a-beta,6-beta,7-beta,8-beta,9-alpha,9a-alpha,10a-beta))-
HWT06H303Z
DS-7849
U-18,409AE
Spectinomycin hydrochloride, United States Pharmacopeia (USP) Reference Standard
U 18,400AE
Trobicin;Spectinomycin hydrochloride hydrate
Spectinomycin HCl hydrate
SPECTINOMYCIN HYDROCHLORIDE [USP IMPURITY]
Spectinomycin HCl
SPECTINOMYCIN DIHYDROCHLORIDE PENTAHYDRATE [EP IMPURITY]
Spectinomycin dihydrochloride pentahydrate, powder, gamma-irradiated
NSC 757319