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Substance Name: Detralfate [INN]
RN: 37209-31-7
UNII: YD5EC2W2Z5
InChIKey: MJBAKMXCLOFQBX-NCFXGAEVSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Weight

  • 726.6108
 
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Names and Synonyms

Name of Substance

  • Detralfate [INN]

Synonyms

  • APD
  • Detralfate
  • Detralfato
  • Detralfato [INN-Spanish]
  • Detralfatum
  • Detralfatum [INN-Latin]
  • Dextran sulfate sodium aluminium
  • UNII-YD5EC2W2Z5

Systematic Names

  • Detralfate
  • Dextran sulfate, sodium salt, aluminum complex

Registry Numbers

CAS Registry Number

  • 37209-31-7

FDA UNII

  • YD5EC2W2Z5

System Generated Number

  • 0037209317

Structure Descriptors

InChI

1S/C12H22O25S5/c1-3-5(13)7(34-39(18,19)20)10(37-42(27,28)29)12(31-3)30-2-4-6(33-38(15,16)17)8(35-40(21,22)23)9(11(14)32-4)36-41(24,25)26/h3-14H,2H2,1H3,(H,15,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)/t3-,4-,5-,6-,7+,8+,9-,10-,11+,12+/m1/s1

InChIKey

MJBAKMXCLOFQBX-NCFXGAEVSA-N

Smiles

C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 257mg/kg (257mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 3, Pg. 24, 1972.
mouse LD50 oral > 4gm/kg (4000mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 3, Pg. 24, 1972.
mouse LD50 subcutaneous 2200mg/kg (2200mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 3, Pg. 24, 1972.
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 3, Pg. 24, 1972.
rat LD50 oral > 6400mg/kg (6400mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 3, Pg. 24, 1972.
rat LD50 subcutaneous 1600mg/kg (1600mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 3, Pg. 24, 1972.