10118-90-8 (米诺环素,Minocycline)

CAS号:
10118-90-8
中文名称:
米诺环素
英文名称:
Minocycline
分子式:
C23H27N3O7
分子量:
457.47638630867
简介:
米诺环素(Minocycline),又称二甲胺四环素或美满环素,是一种广谱抗菌的四环素类抗生素。能与tRNA结合,达到抑菌的效果。米诺环素比同类药物具有更广的抗菌谱,具有抑菌活性。抗菌谱与四环素相近,对革兰阳性菌包括耐四环素的金黄色葡萄球菌、链球菌和革兰阴性菌中的淋病奈瑟球菌均有很强的作用;对革兰阴性杆菌的作用一般较弱;对沙眼衣原体和溶脲支原体亦有较好的抑制作用。

米诺环素(10118-90-8)名称与标识符

名称

中文别名:
米诺环素;二甲胺四环素;7-二甲胺基-6-去甲基-6-去氧四环素;4,7-双(二甲氨基)-1,4,4a,5,5a,6,11,12a-八氢-3,10,12,12a-四羟基-1,11-二氧-2-并四苯甲酰胺;5-(氨基甲基)-N-甲基-糠酰胺盐酸盐;米洛环素;米诺环素-13C-D3;米诺环素-D6;米诺环素,替加环素中间体;米诺环素、盐酸米诺环素、二甲胺四环素、米诺四环素 , Minocycline;盐酸米洛环素;盐酸咪诺环素;
英文别名:
Minocycline;(2e,4s,4ar,5as,12ar)-2-(amino-hydroxy-methylidene)-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4h-tetracene-1,3,12-trione;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;Minocycline dihydrochloride;(4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-car;4S-(4a,4aa,5aa,12aa)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacene carboxamide;7-(N,N-dimethylamino)sancycline;7-dimethylamino-6-demethyl-6-deoxytetracycline;Aknemin;Apo-Minocycline;Arestin;Dynacin;Minociclina;Minocin;Minocyclin;Minocyclinum [INN-Latin];cl59806;MYNOCINE;MINOCYCLINE HCL;MinocyclineBase;Minocycline hydrochlorid;Base;MINOCYCLINE [WHO-DD];KSC-12-231B;MINOCYCLINE [VANDF];NCGC00178854-01;Minociclina [INN-Spanish];SCHEMBL4042;AM20090714;EN300-7481098;NCGC00183044-01;HY-17412A;DTXCID9025033;CS-0009521;MIY;MINOCYCLINE [MI];Spectrum5_001293;KUC106429N;Minocyclinum;(2E,4S,4aR,5aS,12aR)-2-(amino-hydroxy-methylidene)-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3 ,12-trione;4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide;D05045;IDI1_000450;2-NAPHTHACENECARBOXAMIDE, 4,7-BIS(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-, (4S-(4.ALPHA.,4A.ALPHA.,5A.ALPHA.,12A.ALPHA.))-;NCGC00188954-01;NINDS_000450;Spectrum2_001047;(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-;AKOS015969674;Spectrum3_000508;Borymycin;Lactoferrin B & Minocycline;SPBio_000974;(4S,4aS,5aR,12aS)4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxonaphthacene-2-carboxamide;(4S,4aS,5aR,12aS)4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxonaphthacene-2-carboxamide;Minocline;KBio2_004015;AB00053501_05;BCBcMAP01_000027;2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S,4aS,5aR,12aS)-;Minocycline (USAN/INN);MINOCYCLINE [USAN];(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;HMS2090D03;2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4S-(4alpha,4aalpha,5aalpha,12aalpha))-;C07225;Minocin (Hydrochloride);Minomycin;CL 59806;NSC-141993;BCP9000928;J-500789;SR-05000001675-3;NSC141993;BRN 3077644;Q415336;SMP1_000191;(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE;Spectrum4_000062;UNII-FYY3R43WGO;Prestwick2_000315;CL-59806;BDBM50103599;AB00053501-03;KBio1_000450;Minocycline [USAN:INN:BAN];MINO;Minocyn;DB01017;MINOCYCLINE [INN];HSDB 3130;Minoz;(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE;KBio3_001535;MINOCYCLINE [MART.];DYKFCLLONBREIL-KVUCHLLUSA-N;(minocycline);minociclinum;Tox21_113643;Prestwick0_000315;SR-05000001675;GTPL10831;KBio2_001447;KBioSS_001447;CAS-10118-90-8;DTXSID1045033;Tri-minocycline;LMPK07000002;AC-30184;Spectrum_000967;SCHEMBL16681149;MINOCYCLINE [HSDB];SCHEMBL24315;AB00053501_04;CHEMBL69484;TIGECYCLINE IMPURITY C [EP IMPURITY];CHEBI:50694;Lactoferrin H & Minocycline;DivK1c_000450;SPBio_002529;NCGC00178854-02;NS00007904;BSPBio_002035;KBio2_006583;KBioGR_000583;D78303;CHEMBL1434;10118-90-8;FYY3R43WGO;Vectrin (Hydrochloride);Prestwick1_000315;SBI-0051449.P003;Minocycline Hcl 13614-98-7 / Base;DA-65471;

标识符

MDL:
MFCD00072105
InChIKey:
FFTVPQUHLQBXQZ-KVUCHLLUSA-N
Inchi:
1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
SMILES:
O[C@@]12C(=C(C(N)=O)C([C@H]([C@@H]1C[C@@H]1CC3C(=CC=C(C=3C(=C1C2=O)O)O)N(C)C)N(C)C)=O)O

米诺环素(10118-90-8)物化性质

实验特性

  • LogP : 0.88690
  • PSA : 164.63000
  • 折射率 : 1.6500 (estimate)
  • 沸点 : 563.31°C (rough estimate)
  • 闪点 : 352.593 °C
  • 颜色与性状 : 亮黄色-橙色 非晶形的固体
  • 比旋光度 : D25 -166° (c = 0.524)
  • 密度 : 1.3283 (rough estimate)

计算特性

  • 精确分子量 : 457.18500
  • 氢键供体数量 : 5
  • 氢键受体数量 : 10
  • 可旋转化学键数量 : 3
  • 同位素质量 : 457.185
  • 重原子数量 : 33
  • 复杂度 : 971
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 4
  • 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) : _0.6
  • 拓扑分子极性表面积 : 165A^2

米诺环素(10118-90-8)国际标准相关数据

EINECS:
237-099-7

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