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Substance Name: L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate
RN: 134185-31-2
InChIKey: WNNJOUMRDKSYOI-FMWKFLBASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H29-N3-O7-S

Molecular Weight

  • 467.5401
 
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Names and Synonyms

  • L-Iditol, 1,4:3,6-dianhydro-2-(4-(3-((4-(carboxymethyl)phenyl)thio)propyl)-1-piperazinyl)-2-deoxy-, 5-nitrate

Registry Numbers

CAS Registry Number

  • 134185-31-2

System Generated Number

  • 0134185312

Structure Descriptors

InChI

1S/C21H29N3O7S/c25-19(26)12-15-2-4-16(5-3-15)32-11-1-6-22-7-9-23(10-8-22)17-13-29-21-18(31-24(27)28)14-30-20(17)21/h2-5,17-18,20-21H,1,6-14H2,(H,25,26)/t17-,18-,20+,21+/m0/s1

InChIKey

WNNJOUMRDKSYOI-FMWKFLBASA-N

Smiles

c1cc(ccc1CC(=O)O)SCCCN2CCN(CC2)[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4O[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5053408,
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5053408,