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Substance Name: D-Glucose, 2-(carboxyamino)-2-deoxy-, 2-methyl-2-propyltrimethylene ester
RN: 25658-34-8
InChIKey: BFUBDEDKOUTQSH-SXYBGVNISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H38-N2-O14

Molecular Weight

  • 542.531
 
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Names and Synonyms

Synonym

  • 2-(Carboxyamino)-2-deoxy-D-glucose 2-methyl-2-propyltrimethylene ester

Systematic Name

  • D-Glucose, 2-(carboxyamino)-2-deoxy-, 2-methyl-2-propyltrimethylene ester

Registry Numbers

CAS Registry Number

  • 25658-34-8

System Generated Number

  • 0025658348

Structure Descriptors

InChI

1S/C21H38N2O14/c1-3-4-21(2,9-36-19(34)22-11(5-24)15(30)17(32)13(28)7-26)10-37-20(35)23-12(6-25)16(31)18(33)14(29)8-27/h5-6,11-18,26-33H,3-4,7-10H2,1-2H3,(H,22,34)(H,23,35)/t11-,12-,13-,14-,15-,16-,17-,18-/m1/s1

InChIKey

BFUBDEDKOUTQSH-SXYBGVNISA-N

Smiles

C(C(COC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)(CCC)C)OC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 420mg/kg (420mg/kg) AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)" Journal of Medicinal Chemistry. Vol. 12, Pg. 462, 1969.