(2S,3S,4S,5S)-1,6-Dibromohexane-2,3,4,5-Tetraol (2S,3S,4S,5S)-1,6-二溴己烷-2,3,4,5-四醇

CAS 488-41-5 MFCD00045046

化学结构图

488-41-5
SMILES: O[C@H](CBr)[C@@H](O)[C@H](O)[C@H](O)CBr

化学属性

Mol. FormulaC6H12Br2O4
Mol. Weight307.97
Melting Point176-178 °C
Boiling Point511.2±50.0 °C at 760 mmHg

别名和识别编码

Chemical Name(2S,3S,4S,5S)-1,6-Dibromohexane-2,3,4,5-Tetraol
MDL NumberMFCD00045046
PubChem Substance ID656655
EC Number207-676-8
Wiswesser Line NotationE1YQYQYQYQ1E
Synonym Mitobronitol {LY} Mitobronitol {} {LY} Mitobronitol {} {} {LY} Mitobronitol {} {} {} {LY} Mitobronitol {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {} {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {} {} {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Mitobronitol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number488-41-5
Beilstein Registry Number1721919
InChIInChI=1S/C6H12Br2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1
Chemical Name Translation(2S,3S,4S,5S)-1,6-二溴己烷-2,3,4,5-四醇
Canonical SMILESO[C@@H]([C@H]([C@@H]([C@@H](CBr)O)O)O)CBr
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安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P308+P313
  • P201 Obtain special instructions before use. 使用前获取专门指示。
Hazard statements
  • H350 May cause cancer 可能致癌
  • H302 Harmful if swallowed 吞食有害
RTECSOP2800000
Signal word Danger
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7000 mg/kg/26W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Lungs, Thorax, or Respiration - tumors
   Blood - lymphoma, including Hodgkin's disease
REFERENCE :
   RRCRBU Recent Results in Cancer Research.  (Springer-Verlag New York, Inc.,
   Service Center, 44 Hartz Way, Secaucus, NJ 07094)  V.1-    1965-
   Volume(issue)/page/year: 52,1,1975

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 9750 mg/kg/26W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Skin and Appendages - tumors
   Tumorigenic - tumors at site of application
REFERENCE :
   RRCRBU Recent Results in Cancer Research.  (Springer-Verlag New York, Inc.,
   Service Center, 44 Hartz Way, Secaucus, NJ 07094)  V.1-    1965-
   Volume(issue)/page/year: 52,1,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IYKEDH Iyakuhin Kenkyu.  Study of Medical Supplies.  (Nippon Koteisho
   Kyokai, 12-15, 2-chome, Shibuya, Shibuya-ku, Tokyo 150, Japan)  V.1- 1970- 
   Volume(issue)/page/year: 8,680,1977

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERV

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1500 mg/kg
TOXIC EFFECTS :
   Gastrointestinal - hypermotility, diarrhea
   Gastrointestinal - other changes
   Blood - normocytic anemia
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume

{

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2200 mg/kg
TOXIC EFFECTS :
   Behavioral - tremor
   Behavioral - ataxia
   Skin and Appendages - hair
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 6,831,1972

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 1080 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 6,831,1972

TY

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 1 mg/plate
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   43,4530,1983

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 667 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/page/year: 8(Suppl
   7),1,1986

TYPE OF TEST            : Heritable translocation test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaster
DOSE/DURATION           : 1 ppb
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   23,208,1994

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Insect - Drosophila melanogaste

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 15400 ug/plate
REFERENCE :
   BIZNAT Biologisches Zentralblatt.  (VEB Georg Thieme, Postfach 946, Leipzig
   DDR-7010, Ger. Dem. Rep.) V.1-    1881-  Volume(issue)/page/year:
   95,463,1976

TYPE OF TEST            : Sister chromatid e

TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Rodent - hamster Cells - not otherwise specified
DOSE/DURATION           : 1300 ng/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   43,4530,1983

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 3900 mg/kg
SEX/DURATION            : male 26 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
   Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
   accessory glands
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 6,831,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 300 mg/kg
SEX/DURATION            : female 9-14 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
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: 6,30,1972

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 300 mg/kg
SEX/DURATION            : female 12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - Central Nervous System
   Reproductive - Specific Developmental Abnormalities - eye/ear
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: 6,30,1972

TYPE OF TEST

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 3900 mg/kg
SEX/DURATION

Storage condition

系列性分类


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