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31138-65-5, sodium D-glycero-D-gulo-heptonate ,CAS:31138-65-5

31138-65-5 , sodium D-glycero-D-gulo-heptonate ,
CAS:31138-65-5
C7H13NaO8 / 248.16
MFCD00013425

D-葡庚糖酸钠,  D-Glucoheptonic acid sodium salt dihydrate

a-D-Glucoheptonic acid sodium salt dihydrate is a diagnostic agent that can be used to diagnose myocardial infarct. It is a glycol ether with a molecular weight of 168, which is used in the preparation of diagnostic agents for the detection of cardiac lesions. The compound is also used as an excipient in pharmaceutical preparations. In addition, it has been shown to have anti-inflammatory properties due to its ability to inhibit prostaglandin synthesis.

Title: Glucoheptonic Acid

CAS Registry Number: 87-74-1

CAS Name: D-glycero-D-gulo-Heptonic acid

Additional Names: a-glucoheptonic acid; glucosemonocarboxylic acid; glucomonocarbonic acid

Molecular Formula: C7H14O8

Molecular Weight: 226.18

Percent Composition: C 37.17%, H 6.24%, O 56.59%

Literature References: Obtained by treating glucose with HCN yielding a cyanohydrin which is saponified to glucoheptonic acid: Kiliani, Ber. 19, 769 (1886); Fischer, Ann. 270, 71 (1892); Armestar, C.A. 45, 2865 (1951). Process starting with calcium cyanide and glucose: Clevenot, US 2735866 (1956 to Lab. Clevenot). Diagnostic use of 99mTc complexes in renal scintigraphy: R. E. Boyd et al., Br. J. Radiol. 46, 604 (1973); in brain scanning: J. Léveillé et al., J. Nucl. Med. 18, 957 (1977); T. W. Ryerson et al., Radiology 127, 429 (1978). Subacute toxicity study: L. Belbeck et al., Can. J. Comp. Med. 45, 299 (1981).

Properties: Lactonizes upon evapn. The lactone forms large sweetish crystals, mp 145-148°. [a]D20 -56.0° (shows mutarotation). Sol in water.

Melting point: mp 145-148°

Optical Rotation: [a]D20 -56.0° (shows mutarotation)

 

Derivative Type: Sodium salt

CAS Registry Number: 31138-65-5

Additional Names: Gluceptate sodium; sodium glucoheptonate

Molecular Formula: C7H13NaO8

Molecular Weight: 248.16

Percent Composition: C 33.88%, H 5.28%, Na 9.26%, O 51.58%

Literature References: Prepn from corn syrup: Behnke, US 3022343 (1962 to Pfanstiehl Labs).

Properties: Crystals (a-form), dec 161°. [a]D20 +6.06° (c = 10 in H2O). Freely sol in water.

Optical Rotation: [a]D20 +6.06° (c = 10 in H2O)

 

Derivative Type: Calcium salt

Additional Names: Gluceptate calcium; calcium glucoheptonate; calcium glucosemonocarbonate; calcium glucomonocarbonate

Trademarks: Calciforte (Serolam); Calheptose

Molecular Formula: C14H26CaO16

Molecular Weight: 490.42

Percent Composition: C 34.29%, H 5.34%, Ca 8.17%, O 52.20%

Literature References: Prepn from Na salt: Holstein, US 3033900 (1962 to Pfanstiehl Labs.).

Properties: Hygroscopic crystals, somewhat acrid taste, dec 200°. Sol in water.

 

Derivative Type: Magnesium salt

Additional Names: Magnesium glucoheptonate; magnesium glucosemonocarbonate; magnesium glucomonocarbonate

Trademarks: Navolin

Molecular Formula: C14H26MgO16

Molecular Weight: 474.65

Percent Composition: C 35.43%, H 5.52%, Mg 5.12%, O 53.93%

Literature References: Prepn: Cipelli, US 3063896 (1962 to Merck & Co.).

Properties: Water-sol crystals, pleasant taste.

 

Derivative Type: Complex with 99mTc

Additional Names: Technetium 99mTc gluceptate; technetium 99mTc gluheptonate

Trademarks: Glucoscan (DuPont); TechneScan gluceptate (Mallinckrodt)

 

Use: Pharmaceutic aid.

Therap-Cat: 99mTc complex as diagnostic aid (radioactive imaging agent).

CAS Number31138-65-5
Product NameD-glycero-D-gulo-Heptonic acid, monosodium salt
IUPAC Namesodium;(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
Molecular FormulaC7H13NaO8
Molecular Weight248.16 g/mol
InChIInChI=1S/C7H14O8.Na/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;/h2-6,8-13H,1H2,(H,14,15);/q;+1/p-1/t2-,3-,4+,5-,6-;/m1./s1
InChI KeyFMYOMWCQJXWGEN-WYRLRVFGSA-M
SMILESC(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Na+]
Canonical SMILESC(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Na+]
Isomeric SMILESC([C@H]([C@H]([C@@H]([C@H]([C@H](C(=O)[O-])O)O)O)O)O)O.[Na+]
CAS No: 31138-65-5,13007-85-7 Synonyms: Glucoheptonic acid sodium saltSodium glucoheptonate dihydrate MDL No: MFCD00013425 Chemical Formula: C7H13O8Na Molecular Weight: 248.16


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