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CAS No 18679-90-8 , Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-

  • Name: Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-
  • Synonyms: HOPan; D-Homopantothenic acid;Butanoicacid, 4-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-, (R)-; Homopantothenic acid; D-(+)-Homopantothenicacid; Butyric acid,4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, D-(+)- (8CI);Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-; Hopantenic acid;
  • CAS Registry Number:
  • Flash Point: 290.1°C
  • Boiling Point: 556°Cat760mmHg
  • Density: 1.23g/cm3
  • Refractive index: 1.508
  • Flash Point: 290.1°C
  • Molecular Weight: 0
  • InChI: InChI=1/C10H19NO5/c1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14/h8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14)/t8-/m0/s1
  • Molecular Formula: C10H19 N O5
  • Molecular Structure:CAS No:18679-90-8 Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-

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References of Butanoic acid,4-[[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]amino]-
Title: Hopantenic Acid
CAS Registry Number: 18679-90-8
CAS Name: 4-[[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]amino]butanoic acid
Synonyms: D-(+)-4-(2,4-dihydroxy-3,3-dimethylbutyramido)butyric acid; D-homopantothenic acid
Molecular Formula: C10H19NO5
Molecular Weight: 233.26
Percent Composition: C 51.49%, H 8.21%, N 6.00%, O 34.30%
Literature References: Homolog of pantothenic acid, q.v. Prepn: R. Fuerst, L. L. Li, Biochim. Biophys. Acta 86, 26 (1964); C. M. DeSha, R. Fuerst, ibid. 33. Prepn of the calcium salt: Y. Nishizawa et al., JP 66 732 (1966 to Tanabe), C.A. 64, 12555c (1965). Series of articles on analysis, physicochemical properties, electrophysiology, pharmacology, toxicity studies, teratology: Bitamin 33, 603-632 (1966), C.A. 65, 5949a-g (1966). Colorimetric determn, properties: T. Kodama et al., J. Vitaminol. 13, 298 (1967), C.A. 68, 62755n (1968). Peri- and postnatal studies in rats: Y. Asano et al., Oyo Yakuri 19, 1011 (1980), C.A. 94, 58160 (1981). Mechanism of action: V. M. Arakumov, M. A. Kovler, Farmakol. Toksikol. 44, 30 (1981), C.A. 94, 114577 (1981). Determn in plasma: Y. Umeno et al., J. Chromatogr. 226, 333 (1981). Toxicology studies: Y. Nishizawa et al., J. Vitaminol. 15, 26 (1969). Pharmacology and acute toxicity study: Y. Nishizawa, Med. J. Osaka Univ. 35, 41 (1984).
Properties: Sol in water; stable at pH 5-6. [a]D20 +23.8°. pKa 4.52 at 25°. LD50 in male, female mice, male, female rats (mg/kg): 850, 954, 1575, 1458 i.p.; 2063, 2495, 5940, 7348 s.c.; 6297, 7935, 16810, 13350 orally (Nishizawa).
pKa: pKa 4.52 at 25°
Optical Rotation: [a]D20 +23.8°
Toxicity data: LD50 in male, female mice, male, female rats (mg/kg): 850, 954, 1575, 1458 i.p.; 2063, 2495, 5940, 7348 s.c.; 6297, 7935, 16810, 13350 orally (Nishizawa)
 
Derivative Type: Calcium salt hemihydrate
Synonyms: Calcium homopantothenate; hopantenate calcium; pantogam
Trademarks: Hopate (Tanabe)
Molecular Formula: C20H36CaNO5.?H2O
Molecular Weight: 419.59
Percent Composition: C 57.25%, H 8.89%, Ca 9.55%, N 3.34%, O 20.97%
Properties: White powder, mp 155-165°. [a]D20 +24.19° (c = 2 in water). Bitter taste. Sol in water, slightly sol in methanol. Practically insol in organic solvents. Stable at pH 5-6.
Melting point: mp 155-165°
Optical Rotation: [a]D20 +24.19° (c = 2 in water)
 
Therap-Cat: Cerebral activator.