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洋地黄毒甙 | 71-63-6

洋地黄毒甙
Digitoxin
71-63-6
C41H64O13
764.93906
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:洋地黄毒甙结构式
441207
洋地黄毒甙价格
简介
地吉妥辛,别名洋地黄毒苷
处方药
【洋地黄毒苷】(digitoxin)分子式C41H64O13,分子量764.95,CAS登录号:71-63-6。白色结晶性粉末,无臭。熔点256-257℃。比旋光度`[\alpha]_D^20 4.8`度(C=1.2,二氧六环)。略溶于氯仿,微溶于乙醇、乙醚,不溶于水。由玄参科植物毛地黄(亦称“洋地黄”或“紫花洋地黄”)的叶中提取制的。

名称和标识符
MDL MFCD00003686
InChIKey WDJUZGPOPHTGOT-XUDUSOBPSA-N
Inchi InChI=1S/C41H64O13/c1-20-36(46)29(42)16-34(49-20)53-38-22(3)51-35(18-31(38)44)54-37-21(2)50-33(17-30(37)43)52-25-8-11-39(4)24(15-25)6-7-28-27(39)9-12-40(5)26(10-13-41(28,40)47)23-14-32(45)48-19-23/h14,20-22,24-31,33-38,42-44,46-47H,6-13,15-19H2,1-5H3/t20-,21-,22-,24-,25+,26-,27+,28-,29+,30+,31+,33+,34+,35+,36-,37-,38-,39+,40-,41+/m1/s1
SMILES C[C@H]1O[C@](O[C@@H]2[C@@H](C)O[C@](O[C@H]3[C@@H](O)C[C@@](O[C@@H]4C[C@](CC[C@]5([H])[C@]6([H])CC[C@@]7(C)[C@]5(O)CC[C@@H]7C(CO8)=CC8=O)([H])[C@]6(C)CC4)([H])O[C@@H]3C)([H])C[C@@H]2O)([H])C[C@H](O)[C@@H]1O
别名信息
- 中文别名 -
  • 洋地黄毒甙
  • 洋地黄毒苷
  • 二硫胺
  • 毛地黄毒苷
  • 毛地黄毒苷标准品
  • 洋地黄毒甙 USP标准品
  • 洋地黄毒甙标准品(JP)
  • 洋地黄毒苷 EP标准品
  • 洋地黄毒苷(RG)
  • 洋地黄毒苷标准品
- 英文别名 -
  • Digitoxin
  • Digitoxin solution
  • DIGITOXIN(P)
  • DIGITOXIN(RG)
  • [3H]-Digitoxin
  • Acedoxin
  • Cardigin
  • De-Tone
  • digicor
  • Digilong
  • Digimed
  • Digitrin
  • Ditaven
  • Myodigin
  • Natigal
  • tridigitoxosyldigitoxigenin
  • 5β,20(22)-Cardenolide-3β,14-diol-3-(O-2,6-dideoxy-β-D-ribo-hexopyranosyl-[1→4]-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-[1→4]-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy
  • Digitoxoside
  • Lanatoxin
  • Panlanat
  • DIGITOXIN [WHO-DD]
  • Digitoxin (JAN/USP/INN)
  • tradigal
  • Digitoxinum
  • Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy, (3beta,5beta)-
  • Tox21_111659
  • DIGITOXIN (EP MONOGRAPH)
  • DIGITOXIN [USP IMPURITY]
  • 4-[(1R,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2,5-dihydrofuran-2-one
  • Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-
  • Digitoxin, British Pharmacopoeia (BP) Reference Standard
  • 71-63-6
  • Digilanid
  • 8006-96-0
  • EINECS 200-760-5
  • (3beta,5beta)-3-((O-2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE
  • Purodigin, crystalline
  • 3beta-[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide
  • BDBM46356
  • Monodigitoxoside
  • Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1?4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1?4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-
  • Digitoksim
  • Mono-digitoxid
  • DIGITOXIN (USP MONOGRAPH)
  • DIGITOXIN [USP-RS]
  • Crystodigin (TN)
  • Digitoxigenin-tridigitoxosid
  • D00297
  • NCGC00159428-02
  • Digitoxigenin-tridigitoxosid [German]
  • Carditoxin
  • Cristapurat
  • 3beta-((2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-5beta-CARD-20(22)-ENOLIDE
  • DIGITOXIN [JAN]
  • Digitoxigenin tridigitoxoside
  • Digipural
  • SCHEMBL20940
  • Digitoxin 100 microg/mL in Acetonitrile
  • SR-01000721879-2
  • Digitophyllin
  • Cardidigin
  • Digitoxina [INN-Spanish]
  • Digitoxin [USP:INN:BAN:JAN]
  • MLS000069787
  • Digitaline (TN)
  • inhibits Na+/K+ ATPase
  • Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-
  • EPA Pesticide Chemical Code 097002
  • Carditalin
  • DIGITOXIN [VANDF]
  • Tri-digitoxoside
  • NCGC00142623-02
  • Digitalis
  • (3beta,5beta)-3-((O-2,6-Dideoxy-beta-D-ribohexopyranosyl-(1-4)-O-2,6-dideoxy-bet a-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydro xycard-20(22)-enolide
  • LT00244784
  • 5.beta.-Card-20(22)-enolide, 3.beta.,14-dihydroxy-, 3-[tris-(digitoxoside)]
  • USEPA/OPP Pesticide Code: 097002
  • D0M3QP
  • Digitoxosidum
  • DIGITOXIN (USP-RS)
  • Tox21_302269
  • 3beta-(2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy)-14-hydroxy-5beta,14beta-card-20(22)-enolide
  • CARD-20(22)-ENOLIDE, 3-((O-2,6-DIDEOXY-BETA-D-RIBO-HEXOPYRANOSYL-(HEXOPYRANOSYL-(1-4)-2,6-DIDEOXY-BETA-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-,(3BETA, 5BETA)-
  • Coramedan
  • 1339-93-1
  • Card-20(22)-enolida, 3-[(o-2,6-dideoxi-?-d-ribo-hexopiranosil-(1?4)-o-2,6-dideoxi-?-d-ribo-hexopiranosil-(1?4)-2,6-dideoxi-?-d-ribo-hexopiranosil)oxi]-14-hidroxi-, (3?,5?)-
  • AS-75726
  • DIGOXIN IMPURITY A (EP IMPURITY)
  • cid_441207
  • CHEMBL254219
  • Digitoxin [INN:BAN:JAN]
  • Tri-digitoxoside [German]
  • Card-20(22)-enolide, 3-((O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-
  • Digitaline
  • Digitoxine
  • DIGITOXINUM [WHO-IP LATIN]
  • 4-((1S,2S,5S,11S,7R,10R,14R,15R)-5-{5-[5-((2S,4S,5S,6R)-4,5-dihydroxy-6-methyl (2H-3,4,5,6-tetrahydropyran-2-yloxy))(4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5 ,6-tetrahydropyran-2-yloxy)](4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5,6-tetrah ydropyran-2-yloxy)
  • REGID_for_CID_441207
  • Digimerck
  • NCGC00142623-03
  • Asthenthilo
  • CHEBI:28544
  • DIGITOXIN [HSDB]
  • Digitoksin
  • Tardigal
  • C41H64O13
  • CCRIS 7116
  • (3beta,5beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide
  • Digitoxin (JP15/USP/INN)
  • DIGITOXIN [MI]
  • Caswell No. 349
  • 4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-(((2R,4S,5S,6R)-5-(((2S,4S,5S,6R)-5-(((2S,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one
  • AKOS015915863
  • NSC 7529
  • DIGITOXIN (USP IMPURITY)
  • Digitoxina
  • Lanostabil
  • CP4071
  • (3beta,5beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide
  • NCGC00142623-04
  • NCGC00094652-06
  • DB01396
  • Digitaline cristallisee
  • Digitossina
  • UNII-E90NZP2L9U
  • Digitaline nativelle
  • NSC7529
  • CS-5502
  • CCG-208538
  • NCGC00255265-01
  • WDJUZGPOPHTGOT-XUDUSOBPSA-N
  • NSC-7529
  • 3beta-[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide
  • Digicor
  • Digitoxin [BAN:INN:JAN]
  • SMR000058529
  • Digitoxin for LC assay
  • HSDB 215
  • DIGITOXIN [EP MONOGRAPH]
  • Q-100791
  • ACon0_000319
  • Digitoxin, European Pharmacopoeia (EP) Reference Standard
  • 3.BETA.-((2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-5.BETA.-CARD-20(22)-ENOLIDE
  • DIGOXIN IMPURITY A [EP IMPURITY]
  • BRN 0076678
  • DTXSID0022933
  • Cardiolanata
  • CARD-20(22)-ENOLIDE, 3-((O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.,5.BETA.)-
  • Digitalin, crystalline
  • 3beta-(2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide
  • SBI-0051348.P003
  • E90NZP2L9U
  • D89676
  • SMP1_000096
  • 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
  • Digitoxine [INN-French]
  • (3.BETA.,5.BETA.)-3-((O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE
  • DigitoXin, USP
  • ACon1_000610
  • Digitalinum verum
  • Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-
  • CAS-71-63-6
  • (3beta,5beta)-3-((O-2,6-DIDEOXY-beta-D-RIBO-HEXAPYRANOSYL-(1->4)-2,6-DIDEOXY-beta-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE
  • C12H13F13N2O3
  • C01AA04
  • LMST01120018
  • Mono-digitoxid [German]
  • GTPL6782
  • DTXCID102933
  • Digitoxin, >=92% (HPLC), powder
  • Pandigal
  • A572A148-EC30-47D2-A32A-C9D8A93F8EFC
  • Tox21_111659_1
  • DIGITOXIN [WHO-IP]
  • EN300-123649
  • BRD-K63668566-001-01-7
  • Digisidin
  • Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-
  • C06955
  • Crystalline digitalin
  • Q423890
  • HY-B1357
  • (3.BETA.,5.BETA.)-3-((O-2,6-DIDEOXY-.BETA.-D-RIBO-HEXAPYRANOSYL-(1->4)-2,6-DIDEOXY-.BETA.-D-RIBO-HEXOPYRANOSYL)OXY)-14-HYDROXYCARD-20(22)-ENOLIDE
  • Mono-glycocard
  • 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
  • NCGC00142623-05
  • Digitoxin, United States Pharmacopeia (USP) Reference Standard
  • Crystodigin
  • DIGITOXIN [USP MONOGRAPH]
  • DIGITOXIN [ORANGE BOOK]
  • Purodigin
  • D0542
  • C12-H13-F13-N2-O3
  • Glucodigin
  • digitoxin
  • Digitossina [DCIT]
  • Unidigin
  • Purpurid
  • Digitoxinum [INN-Latin]
  • MEGxp0_001901
  • Z1552200029
  • 4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
  • DIGITOXINUM [HPUS]
  • DIGITOXIN [INN]
  • Digitoxina (INN-Spanish)
  • 5beta,20(22)-Cardenolide-3beta,14-diol-3-(O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-[1-->4]-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-[1-->4]-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy
  • (3beta,5beta)-3-((O-2,6-Dideoxy-beta-D-ribohexopyranosyl-(1-4)-O-2,6-dideoxy-bet a-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydro xycard-20(22)- enolide
  • Digitoxin (USP:INN:BAN:JAN)
  • Digitoxinum (INN-Latin)
  • 1ST11162
  • MFCD00003686
  • Digitoxine (INN-French)
  • 5.beta.-Card-20(22)-enolide,14-dihydroxy-, 3-[tris-(digitoxoside)]
  • Card-20(22)-enolide, 3-((O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3.beta.,5.beta.)-
  • WDJUZGPOPHTGOT-UHFFFAOYSA-N
  • 5.beta.-Card-20(22)-enolide, 3.beta.,14-dihydroxy-, 3-(tris-(digitoxoside))
  • 3-((2,6-Dideoxy-4-O-[2,6-dideoxy-4-O-(2,6-dideoxyhexopyranosyl)hexopyranosyl]hexopyranosyl)oxy)-14-hydroxycard-20(22)-enolide #
  • WLN: L E5 B666TJ A1 E1 IQ F- DT5OV EHJ& OO- FT6OTJ B1 DQ CO- FT6OTJ B1 DQ CO- FT6OTJ B1 CQ DQ
  • Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-
  • 4-(3-((5-((5-((4,5-dihydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2h-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)furan-2(5h)-one
  • NCI60_041649
  • NCGC00159428-03
  • Card-20(22)-enolide, 3-[(O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.->.4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1.->.4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3.beta.,5.beta.)-
  • FT-0603272
物化性质
实验特性
LogP 3.24730
PSA 182.83000
Merck 14,3163
折射率 17 ° (C=2, CHCl3)
沸点 654.47°C (rough estimate)
熔点 240 °C (dec.) (lit.)
闪点 华氏:48.2 °F
摄氏:9 °C
溶解度 chloroform: soluble
浓度 1.0 mg/mL in methanol
颜色与性状 Powder
溶解性 溶于酸、氯仿、丙酮和吡啶,微溶于水和石油醚。无臭,味苦。
比旋光度 D20 +4.8° (c = 1.2 in dioxane)
密度 1.0971 (rough estimate)
计算特性
精确分子量 764.43500
氢键供体数量 5
氢键受体数量 13
可旋转化学键数量 7
同位素质量 764.43469209g/mol
重原子数量 54
复杂度 1410
同位素原子数量 0
确定原子立构中心数量 20
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 2.3
表面电荷 0
拓扑分子极性表面积 183
国际标准相关数据
EINECS 200-760-5
相关文献
专业数据库参考
PubChemId 441207
参考资料
Beilstein 76678
960化工网为您提供洋地黄毒甙专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:71-63-6,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等
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