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Substance Name: Carbamic acid, (10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, ethyl ester, dimethanesulfonate
RN: 51724-29-9
InChIKey: JQCATVKDJZXLNP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N3-O2-S.2C-H4-O3-S

Molecular Weight

  • 589.752
 
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Names and Synonyms

  • Carbamic acid, (10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)-, ethyl ester, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 51724-29-9

System Generated Number

  • 0051724299

Molecular Formulas

Molecular Formula

  • C22-H27-N3-O2-S.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C22-H27-N3-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27N3O2S.2CH4O3S/c1-3-27-22(26)23-17-8-9-21-18(15-17)19(25-12-10-24(2)11-13-25)14-16-6-4-5-7-20(16)28-21;2*1-5(2,3)4/h4-9,15,19H,3,10-14H2,1-2H3,(H,23,26);2*1H3,(H,2,3,4)

InChIKey

JQCATVKDJZXLNP-UHFFFAOYSA-N

Smiles

S(O)(=O)(=O)C.S(O)(=O)(=O)C.N1([C@@H]2c3c(Sc4c(C2)cccc4)ccc(NC(=O)OCC)c3)CCN(C)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 52mg/kg (52mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 2484, 1973.