(+)-(R)-3-(2,4-Dihydroxy-3,3-Dimethylbutanamido)Propanoic Acid (+)-(R)-3-(2,4-二羟基-3,3-二甲基丁酰胺基)丙酸

CAS 79-83-4 MFCD00020513

化学结构图

79-83-4
SMILES: CC(C)(CO)C(O)C(=O)NCCC(=O)O

化学属性

Mol. FormulaC9H17NO5
Mol. Weight219.23
Melting Point178-179°C
Density1.266
Boiling Point551.5°C at 760 mmHg
Flash Point287.3°C

别名和识别编码

Chemical Name(+)-(R)-3-(2,4-Dihydroxy-3,3-Dimethylbutanamido)Propanoic Acid
EC Number201-229-0
Synonym D-Pantothenic acid {LY} D-Pantothenic acid {} {LY} D-Pantothenic acid {} {} {LY} D-Pantothenic acid {} {} {} {LY} D-Pantothenic acid {} {} {} {} {LY} D-Pantothenic acid {} {} {} {} {} {LY} D-Pantothenic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} D-Pantothenic acid {} {} {} {} {} {} {} {LY} D-Pantothenic acid {} {} {} {} {} {} {} {} {LY} D-Pantothenic acid {} {} {} {} {} {} {} {} {} {LY} D-Pantothenic acid {} {} {} {} {} {} {} {} {} {} {LY} D-Pantothenic acid {} {} {} {} {} {} {} {} {} {} {} {LY} D-Pantothenic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} D-Pantothenic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} D-Pantothenic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} D-Pantothenic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} D-Pantothenic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} D-Pantothenic acid
CAS Number79-83-4
Chemical Name Translation(+)-(R)-3-(2,4-二羟基-3,3-二甲基丁酰胺基)丙酸
Beilstein Registry Number1727064
LabNetwork Molecule IDLN01292029
PubChem Substance ID6613
InChIInChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1
MDL NumberMFCD00020513
Canonical SMILESOCC(C)(C)[C@@H](O)C(NCCC(O)=O)=O
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安全信息

RTECSRU4729000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JACTDZ Journal of the American College of Toxicology.  (Mary Ann Liebert,
   Inc., 1651 Third Ave., New York, NY 10128)  V.1-12, 1982-1993. Discontinued.
    Volume(issue)/page/year: 6(1),139,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1443 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
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: 17,32,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JACTDZ Journal of the American College of Toxicology.  (Mary Ann Liebert,
   Inc., 1651 Third Ave., New York, NY 10128)  V.1-12, 1982-1993. Discontinued.
    Volume(issue)/page/year: 6(1),139,1987

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2490 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BTMNA7 Bitamin. (Nippon Bitamin Gakkai, 4 Ushinomiya-cho, Yoshida, Sakyo-Ku,
   Kyoto 606, Japan) V.1-    1948-  Volume(issue)/page/year:

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

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