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Substance Name: Carbamic acid, (1-(2-((cyclohexylmethylamino)methyl)-4,6-dibromocarbaniloyl)-2-mercaptoethyl)-, benzyl ester, hydrochloride, (R)-
RN: 97290-51-2
InChIKey: OHFRVPBNWOOGBT-FTBISJDPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-Br2-N3-O3-S.Cl-H

Molecular Weight

  • 649.8728
 
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Names and Synonyms

Synonym

  • N-Benzilossicarbonilcistein-2,4-dibromo-6-((N-cicloesil-N-metilamino)metil)anilide HCl

Systematic Name

  • Carbamic acid, (1-(2-((cyclohexylmethylamino)methyl)-4,6-dibromocarbaniloyl)-2-mercaptoethyl)-, benzyl ester, hydrochloride, (R)-

Registry Numbers

CAS Registry Number

  • 97290-51-2

System Generated Number

  • 0097290512

Molecular Formulas

Molecular Formula

  • C25-H31-Br2-N3-O3-S.Cl-H

Molecular Formula Fragments

  • C25-H31-Br2-N3-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31Br2N3O3S.ClH/c1-30(20-10-6-3-7-11-20)14-18-12-19(26)13-21(27)23(18)29-24(31)22(16-34)28-25(32)33-15-17-8-4-2-5-9-17;/h2,4-5,8-9,12-13,20,22,34H,3,6-7,10-11,14-16H2,1H3,(H,28,32)(H,29,31);1H/t22-;/m0./s1

InChIKey

OHFRVPBNWOOGBT-FTBISJDPSA-N

Smiles

c1(c(NC(=O)[C@@H](NC(=O)OCc2ccccc2)CS)c(cc(c1)Br)Br)CN(C1CCCCC1)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 240mg/kg (240mg/kg)   Farmaco, Edizione Scientifica. Vol. 40, Pg. 108, 1985.