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    Technical details about Tox21_300410, learn more about the structure, uses, toxicity, action, side effects and more

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    Tox21_300410

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    MARKET PLACE

    ANALYTICAL SOLUTION(s)

    DIGITAL CONTENT

    PharmaCompass

    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    Also known as: 57-50-1, Saccharose, Sugar, Table sugar, Cane sugar, White sugar
    Molecular Formula
    C12H22O11
    Molecular Weight
    342.30  g/mol
    InChI Key
    CZMRCDWAGMRECN-UGDNZRGBSA-N
    FDA UNII
    C151H8M554
    A nonreducing disaccharide composed of GLUCOSE and FRUCTOSE linked via their anomeric carbons. It is obtained commercially from SUGARCANE, sugar beet (BETA VULGARIS), and other plants and used extensively as a food and a sweetener.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
    2.1.3 InChI Key
    CZMRCDWAGMRECN-UGDNZRGBSA-N
    2.1.4 Canonical SMILES
    C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
    2.1.5 Isomeric SMILES
    C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    C151H8M554
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Saccharose

    2.3.2 Depositor-Supplied Synonyms

    1. 57-50-1

    2. Saccharose

    3. Sugar

    4. Table Sugar

    5. Cane Sugar

    6. White Sugar

    7. D-sucrose

    8. Saccharum

    9. Rohrzucker

    10. Microse

    11. Beet Sugar

    12. Granulated Sugar

    13. Rock Candy

    14. Amerfand

    15. Amerfond

    16. Confectioner's Sugar

    17. D(+)-sucrose

    18. Sucrose, Dust

    19. Sucrose, Pure

    20. D(+)-saccharose

    21. Sacarosa

    22. D-(+)-sucrose

    23. Beta-d-fructofuranosyl Alpha-d-glucopyranoside

    24. Beta-d-fructofuranosyl-alpha-d-glucopyranoside

    25. D-saccharose

    26. Sucraloxum [inn-latin]

    27. D-(+)-saccharose

    28. Ccris 2120

    29. Hsdb 500

    30. Sacharose

    31. Alpha-d-glucopyranosyl Beta-d-fructofuranoside

    32. Chebi:17992

    33. Ai3-09085

    34. (alpha-d-glucosido)-beta-d-fructofuranoside

    35. Fructofuranoside, Alpha-d-glucopyranosyl, Beta-d

    36. Glucopyranoside, Beta-d-fructofuranosyl, Alpha-d

    37. (+)-sucrose

    38. Alpha-d-glucopyranoside, Beta-d-fructofuranosyl-

    39. Nci-c56597

    40. Gne-410

    41. S-67f

    42. 1-alpha-d-glucopyranosyl-2-beta-d-fructofuranoside

    43. Alpha-d-glucopyranoside, Beta-d-fructofuranosyl

    44. C151h8m554

    45. Nsc-406942

    46. Beta-d-fruf-(2<->1)-alpha-d-glcp

    47. Ncgc00164248-01

    48. Sucraloxum

    49. Dsstox_cid_1288

    50. Nsc 406942

    51. Dsstox_rid_76060

    52. Dsstox_gsid_21288

    53. Polysucrose

    54. (2r,3r,4s,5s,6r)-2-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

    55. Sucrose [usan:jan]

    56. Mfcd00006626

    57. Cas-57-50-1

    58. (2r,3r,4s,5s,6r)-2-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

    59. Sucrose [jan:nf]

    60. Einecs 200-334-9

    61. Glc-(1-2)fru

    62. Frost Sugar

    63. Sucrose,ultrapure

    64. Unii-c151h8m554

    65. Compressible Sugar

    66. Sucrose, Purified

    67. Sucrose, Ar

    68. Sucrose, Lr

    69. Sucrose, Ultrapure

    70. Sucrose, Usp

    71. Sucrose Acs Grade

    72. Sucrose (tn)

    73. Sugar Spheres (nf)

    74. Sugar,(s)

    75. Refined Sugar

    76. Sucrose, Acs Reagent

    77. Sucrose, Reagent Grade

    78. 1af6

    79. Sugar, White

    80. Sucrose [vandf]

    81. Sucrose [hsdb]

    82. Sucrose [inci]

    83. Sucrose (jp17/nf)

    84. Sucrose [fcc]

    85. Sucrose [jan]

    86. Sugar [vandf]

    87. Glc(alpha1->2beta)fru

    88. Sucrose [ii]

    89. Sucrose [mi]

    90. Sucrose [nf]

    91. Sucrose Biochemical Grade

    92. Sucrose [usp-rs]

    93. Sucrose [who-dd]

    94. Sucrose, Saj First Grade

    95. Saccharum Officinale

    96. Sugar, Compressible (nf)

    97. Bmse000119

    98. Bmse000804

    99. Bmse000918

    100. Epitope Id:153236

    101. Sucrose, >=99.5%

    102. Sucrose, Jis Special Grade

    103. White Soft Sugar (jp17)

    104. Sucrose, Analytical Standard

    105. Sucrose, Cell Culture Tested

    106. Sugar, Confectioner's (nf)

    107. 1-alpha-d-glucopyranosyl-2-beta-d-fructofranoside

    108. Sucrose [ep Impurity]

    109. Sucrose, P.a., Acs Reagent

    110. Sucrose [ep Monograph]

    111. Chembl253582

    112. Gtpl5411

    113. Dtxsid2021288

    114. Chebi:65313

    115. Sucrose, 1.2m Aqueous Solution

    116. Sucrose, Molecular Biology Grade

    117. Sucrose, >=99.5% (gc)

    118. Alpha-d-glc-(1-2)-beta-d-fru

    119. Saccharum Officinale [hpus]

    120. Hy-b1779

    121. Zinc4217475

    122. Tox21_112093

    123. Tox21_201397

    124. Tox21_300410

    125. Bdbm50108105

    126. S3598

    127. Sucrose, For Electrophoresis, >99%

    128. Akos024306988

    129. Db02772

    130. Sucrose, Bioxtra, >=99.5% (gc)

    131. A-d-glucopyranosyl A-d-fructofuranoside

    132. B -d-fructofuranosyl A-d-glucopyranoside

    133. Ncgc00164248-02

    134. Ncgc00164248-03

    135. Ncgc00164248-05

    136. Ncgc00254237-01

    137. Ncgc00258948-01

    138. 92004-84-7

    139. Sucrose, Meets Usp Testing Specifications

    140. Sucrose, Vetec(tm) Reagent Grade, 99%

    141. D-saccharose 1000 Microg/ml In Methanol

    142. Alpha-d-glucopyranosylbeta-d-fructofuranoside

    143. Cs-0013810

    144. S0111

    145. Sucrose, Grade I, Plant Cell Culture Tested

    146. Sucrose, Grade Ii, Plant Cell Culture Tested

    147. C00089

    148. D00025

    149. D70407

    150. Sucrose, For Molecular Biology, >=99.5% (gc)

    151. Sucrose

    152. ?-d-fructofuranosyl ?-d-glucopyranoside

    153. Sr-01000883983

    154. Sucrose, Nist(r) Srm(r) 17f, Optical Rotation

    155. J-519846

    156. Q4027534

    157. Sr-01000883983-1

    158. Sucrose, For Microbiology, Acs Reagent, >=99.0%

    159. Alpha-d-glucopyranosyl-(1->2)-beta-d-fructofuranoside

    160. Sucrose, British Pharmacopoeia (bp) Reference Standard

    161. Sucrose, European Pharmacopoeia (ep) Reference Standard

    162. Sucrose, Vetec(tm) Reagent Grade, Rnase And Dnase Free

    163. Z1601554751

    164. .beta.-d-fructofuranosyl-.alpha.-d-glucopyranoside

    165. Beta-d-fructofuranosyl-(2↔1)-alpha-d-glucopyranoside

    166. Sucrose, Analytical Standard, For Enzymatic Assay Kit Sca20

    167. .alpha.-d-glucopyranoside, .beta.-d-fructofuranosyl-

    168. Sucrose, Anhydrous, Free-flowing, Redi-dri(tm), Acs Reagent

    169. Sucrose, Bioultra, For Molecular Biology, >=99.5% (hplc)

    170. Sucrose, United States Pharmacopeia (usp) Reference Standard

    171. Carbon Isotopes In Sucrose, Nist(r) Rm 8542, Iaea-ch-6 Sucrose

    172. Sucrose (constituent Of Cranberry Liquid Preparation) [dsc]

    173. Compressible Sugar, United States Pharmacopeia (usp) Reference Standard

    174. Sucrose, Puriss., Meets Analytical Specification Of Ph. Eur., Bp, Nf

    175. Wurcs=2.0/2,2,1/[a2122h-1a_1-5][ha122h-2b_2-5]/1-2/a1-b2

    176. Wurcs=2.0/2,2,1/[ha122h-2b_2-5][a2122h-1a_1-5]/1-2/a2-b1

    177. (2r,3r,4s,5s,6r)-2-(((2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol

    178. (2r,3r,4s,5s,6r)-2-((2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-ylhydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol

    179. (2r,3r,4s,5s,6r)-2-((2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yloxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-3,4,5-triol

    180. (2r,3r,4s,5s,6r)-2-[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

    181. 8027-47-2

    182. 8030-20-4

    183. 85456-51-5

    184. 86101-30-6

    185. 87430-66-8

    186. Sucrose, Bioreagent, Suitable For Cell Culture, Suitable For Insect Cell Culture, >=99.5% (gc)

    187. Sucrose, Low Endotoxin, Pharmagrade, Usp/nf, Ph Eur, Manufactured Under Appropriate Gmp Controls For Pharma Or Biopharmaceutical Production.

    2.4 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 342.30 g/mol
    Molecular Formula C12H22O11
    XLogP3-3.7
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count5
    Exact Mass342.11621151 g/mol
    Monoisotopic Mass342.11621151 g/mol
    Topological Polar Surface Area190 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity395
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Therapeutic Uses

    MEDICATION (VET): ITS ORAL USE IN ACETONEMIA OF CATTLE IS CONTROVERSIAL BUT STILL POPULAR. IT IS OFTEN USED ORALLY WITH VINEGAR...IN EMERGENCY TREATMENT OF ACUTE UREA TOXICITY IN CATTLE. DAILY ORAL USE CAN OCCASIONALLY REDUCE INCIDENCE OF BLOAT IN CATTLE ON SPRING PASTURE LOW IN CARBOHYDRATES.

    Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 561

    MEDICATION (VET): 20% ORAL SOLN CAUSE REFLEX CLOSURE OF ESOPHAGEAL GROOVE. ... SUGAR IS OCCASIONALLY USED...TO FACILITATE REDN OF EDEMA & EASE OF REPLACEMENT OF PROLAPSED UTERI IN COWS, EWES, BITCHES, ETC, & HAS BEEN USED LOCALLY ON WOUNDS, FOOT ROT, ETC BY LAYMEN & PROFESSIONALS.

    Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 561

    IV ADMIN OF HYPERTONIC SOLN OF SUCROSE HAS BEEN EMPLOYED CHIEFLY TO INITIATE OSMOTIC DIURESIS. SUCH PROCEDURE IS NOT COMPLETELY SAFE & RENAL TUBULAR DAMAGE MAY RESULT, PARTICULARLY IN PATIENTS WITH EXISTING RENAL PATHOLOGY. SAFER & MORE EFFECTIVE DIURETICS ARE AVAILABLE. /FORMER USE/

    Osol, A. and J.E. Hoover, et al. (eds.). Remington's Pharmaceutical Sciences. 15th ed. Easton, Pennsylvania: Mack Publishing Co., 1975., p. 1235

    4.2 Drug Warning

    VET: ORAL ADMIN TO YOUNG ANIMALS UNABLE TO DIGEST IT WILL CAUSE OR ACCENT DIARRHEAS.

    Rossoff, I.S. Handbook of Veterinary Drugs. New York: Springer Publishing Company, 1974., p. 562

    4.3 Minimum/Potential Fatal Human Dose

    1. 1= PRACTICALLY NONTOXIC: PROBABLE ORAL LETHAL DOSE (HUMAN) ABOVE 15 G/KG, MORE THAN 1 QUART (2.2 LB) FOR 70 KG PERSON (150 LB).

    Gosselin, R.E., H.C. Hodge, R.P. Smith, and M.N. Gleason. Clinical Toxicology of Commercial Products. 4th ed. Baltimore: Williams and Wilkins, 1976., p. II-151

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Sweetening Agents

    Substances that sweeten food, beverages, medications, etc., such as sugar, saccharine or other low-calorie synthetic products. (From Random House Unabridged Dictionary, 2d ed) (See all compounds classified as Sweetening Agents.)

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