(+)-(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
SMILES: CC(C)(CO)C(O)C(=O)NCCC(=O)O
化学属性
| Mol. Formula | C9H17NO5 |
|---|---|
| Mol. Weight | 219.23 |
| Melting Point | 178-179°C |
| Density | 1.266 |
| Boiling Point | 551.5°C at 760 mmHg |
| Flash Point | 287.3°C |
别名和识别编码
| Chemical Name | (+)-(R)-3-(2,4-Dihydroxy-3,3-Dimethylbutanamido)Propanoic Acid |
|---|---|
| EC Number | 201-229-0 |
| 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-Pant |
| CAS Number | 79-83-4 |
| Chemical Name Translation | (+)-(R)-3-(2,4-二羟基-3,3-二甲基丁酰胺基)丙酸 |
| Beilstein Registry Number | 1727064 |
| LabNetwork Molecule ID | LN01292029 |
| PubChem Substance ID | 6613 |
| InChI | InChI=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 Number | MFCD00020513 |
| Canonical SMILES | OCC(C)(C)[C@@H](O)C(NCCC(O)=O)=O |
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安全信息
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),139,1987TYPE 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),139,1987TYPE 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:
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