4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6- (2-phenoxyacetamido)-, compd.with4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-6- methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1)

CAS 4599-60-4 MFCD00083461

化学结构图

4599-60-4
SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O.CN(C)[C@@H]1C(O)=C(C(=O)NCN2CCN(CCO)CC2)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)C3C[C@@H]12

化学属性

Mol. FormulaC29H38N4O9.C16H18N2O5S
Mol. Weight937.13

别名和识别编码

Chemical Name4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid,3,3-dimethyl-7-oxo-6- (2-phenoxyacetamido)-, compd.with4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-N-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-6- methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1)
CAS Number4599-60-4
Chemical Name Translation
Synonym Mepicycline penicillinate Penimepicycline Duamine Hydrocycline Penetracyne
PubChem Substance ID54686187
InChIInChI=1S/C29H38N4O9.C16H18N2O5S/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34;1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h4-6,16-17,22,34-36,39,41-42H,7-14H2,1-3H3,(H,30,40);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t16-,17-,22-,28+,29-;11-,12+,14-/m01/s1
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安全信息

RTECSXH9270000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3990 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GNRIDX Gendai no Rinsho.  (Tokyo, Japan)  V.1-10, 1967-76(?).
   Volume(issue)/page/year: 2,26,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1096 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GNRIDX Gendai no Rinsho.  (Tokyo, Japan)  V.1-10, 1967-76(?).
   Volume(issue)/page/year: 2,26,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 345 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GNRIDX Gendai no Rinsho.  (Tokyo, Japan)  V.1-10, 1967-76(?).
   Volume(issue)/page/year: 2,26,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent -

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1550 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GNRIDX Gendai no Rinsho.  (Tokyo, Japan)  V.1-10, 1967-76(?).
   Volume(issue)/page/year: 2,26,1968

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 342 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GNRIDX Gendai no Rinsho.  (Tokyo, Japan)  V.1-10, 1967-76(?).
   Volume(issue)/page/year: 2,26,1968

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 12 gm/kg
SEX/DURATION            : female 9-14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 4,516,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE                    : 18 gm/kg
SEX/DURATION            : female 8-16 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
   resorbed implants per total number of implants)
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 4,516,1970

系列性分类

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