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Substance Name: Thiomorpholine, 4-(4-((2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-
RN: 103661-09-2
InChIKey: LQDZASVUEJJSBQ-NFBKMPQASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H24-Cl2-N4-O3-S

Molecular Weight

  • 507.4396
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 103661-09-2

System Generated Number

  • 0103661092

Structure Descriptors

InChI

1S/C23H24Cl2N4O3S/c24-17-1-6-21(22(25)11-17)23(14-29-16-26-15-27-29)31-13-20(32-23)12-30-19-4-2-18(3-5-19)28-7-9-33-10-8-28/h1-6,11,15-16,20H,7-10,12-14H2/t20-,23-/m1/s1

InChIKey

LQDZASVUEJJSBQ-NFBKMPQASA-N

Smiles

c1cc(ccc1N2CCSCC2)OC[C@@H]3CO[C@@](O3)(Cn4cncn4)c5ccc(cc5Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4640918,