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Substance Name: Ro 44-5912
RN: 168037-93-2
InChIKey: MVSRAALPTQIRFB-FQEVSTJZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H39-N-O4-S2

Molecular Weight

  • 505.74
 
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Names and Synonyms

Name of Substance

  • Ro 44-5912

Synonym

  • Ro 44-5912

Systematic Name

  • 1,3-Dithiane-2-propanamine, 2-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-N,beta-dimethyl-, (S)-

Registry Numbers

CAS Registry Number

  • 168037-93-2

System Generated Number

  • 0168037932

Structure Descriptors

InChI

1S/C27H39NO4S2/c1-20(19-28(2)13-12-21-8-10-23(29-3)25(16-21)31-5)18-27(33-14-7-15-34-27)22-9-11-24(30-4)26(17-22)32-6/h8-11,16-17,20H,7,12-15,18-19H2,1-6H3/t20-/m0/s1

InChIKey

MVSRAALPTQIRFB-FQEVSTJZSA-N

Smiles

c1(CC[N@@](C[C@H](CC2(c3ccc(OC)c(OC)c3)SCCCS2)C)C)ccc(OC)c(c1)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 506mg/kg (506mg/kg)   European Journal of Cancer Part A. Vol. 31A, Pg. 2354, 1995.