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Substance Name: Thiomorpholine, 4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, 1-oxide, cis-
RN: 103661-07-0
InChIKey: VVKGEAZPMUJRLR-ZJSXRUAMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H25-Cl2-N3-O4-S

Molecular Weight

  • 522.4505
 
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Names and Synonyms

Synonym

  • RTECS XR5001500

Systematic Name

  • Thiomorpholine, 4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, 1-oxide, cis-

Registry Numbers

CAS Registry Number

  • 103661-07-0

System Generated Number

  • 0103661070

Structure Descriptors

InChI

1S/C24H25Cl2N3O4S/c25-18-1-6-22(23(26)13-18)24(16-28-8-7-27-17-28)32-15-21(33-24)14-31-20-4-2-19(3-5-20)29-9-11-34(30)12-10-29/h1-8,13,17,21H,9-12,14-16H2/t21-,24-/m1/s1

InChIKey

VVKGEAZPMUJRLR-ZJSXRUAMSA-N

Smiles

c1cc(ccc1N2CCS(=O)CC2)OC[C@@H]3CO[C@@](O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4640918,