Methyl retinoate 维甲酸甲酯

CAS 339-16-2 MFCD00853557

化学结构图

339-16-2
SMILES: COC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C

化学属性

Mol. FormulaC21 H30 O2
Mol. Weight314.46
Melting Point66 - 68°C
Boiling Point
Flash Point-

别名和识别编码

Chemical NameMethyl retinoate
CAS Number339-16-2
Chemical Name Translation维甲酸甲酯
Synonym Methyl retinoate Retinoic acid, methyl ester, all-trans- Ro 4-3781 Vitamin A acid methyl ester Vitamin A-Saeuremethylester all-trans-Retinoic Acid Methyl Ester {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} trans-methyl retinoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} methyl retinoate, (13-cis)-isomer {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} methyl retinoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} cis-methyl retinoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Beilstein Registry Number2059353
PubChem Substance ID5378821
InChIInChI=1S/C21H30O2/c1-16(9-7-10-17(2)15-20(22)23-6)12-13-19-18(3)11-8-14-21(19,4)5/h7,9-10,12-13,15H,8,11,14H2,1-6H3/b10-7+,13-12+,16-9+,17-15+
Canonical SMILESCOC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
MDL Number-
LabNetwork Molecule IDLN01311495
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分类

  • Metabolites & Impurities
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • Retinoids

相关文献及参考

  • Barua, A.B., et al.: J. Lipid Research, 25, 304 (1984)

安全信息

RTECSVH6570000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PCJOAU Pharmaceutical Chemistry Journal (English Translation).  Translation
   of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013)  No.1-
   1967-  Volume(issue)/page/year: 18,213,1984

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GWXXBX German Offenlegungsschrift Patent Document.  (U.S. Patent and
   Trademark Office, Foreign Patents, Washington, DC 20231)
   Volume(issue)/page/year: #2128462

Storage condition - 86 - 86°C, Light sensitive, Light sensitive - 86℃ -86°C -86℃

系列性分类

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