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Substance Name: Cistinexine [INN]
RN: 86042-50-4
UNII: 62VR67FK8E
InChIKey: UVOSLKVETODLTR-CXNSMIOJSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C50-H60-Br4-N6-O6-S2

Molecular Weight

  • 1224.81
 
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Names and Synonyms

Name of Substance

  • Cistinexine [INN]

Synonyms

  • Cistinexina
  • Cistinexina [Spanish]
  • Cistinexine
  • Cistinexinum
  • Cistinexinum [Latin]
  • Dibenzyl (dithiobis((R)-1-((4,6-dibromo-alpha-(cyclohexylmethylamino)-o-tolyl)carbamoyl)ethylene))dicarbamate
  • N,N'-Bisbenzilossicarbonilcistin-bis(2,4-dibromo-6-(N-cicloesil-N-metil)aminometil)anilide
  • N,N'-Di(benzyloxycarbonyl)cysteine di(4,6-dibromo-2-(N-cyclohexyl-N-methylaminomethyl)anilide)
  • UNII-62VR67FK8E

Systematic Names

  • 2-Oxa-7,8-dithia-4,11-diazadodecan-12-oic acid, 5,10-bis(((2,4-dibromo-6-((cyclohexylmethylamino)methyl)phenyl)amino)carbonyl)-3-oxo-1-phenyl-, phenylmethyl ester, (R-(R*,R*))-
  • Dibenzyl (dithiobis((R)-1-((4,6-dibromo-alpha-(cyclohexylmethylamino)-o-tolyl)carbamoyl)ethylene))dicarbamate

Registry Numbers

CAS Registry Number

  • 86042-50-4

FDA UNII

  • 62VR67FK8E

System Generated Number

  • 0086042504

Structure Descriptors

InChI

1S/C50H60Br4N6O6S2/c1-59(39-19-11-5-12-20-39)27-35-23-37(51)25-41(53)45(35)57-47(61)43(55-49(63)65-29-33-15-7-3-8-16-33)31-67-68-32-44(56-50(64)66-30-34-17-9-4-10-18-34)48(62)58-46-36(24-38(52)26-42(46)54)28-60(2)40-21-13-6-14-22-40/h3-4,7-10,15-18,23-26,39-40,43-44H,5-6,11-14,19-22,27-32H2,1-2H3,(H,55,63)(H,56,64)(H,57,61)(H,58,62)/t43-,44-/m0/s1

InChIKey

UVOSLKVETODLTR-CXNSMIOJSA-N

Smiles

C(=O)(N[C@H](C(Nc1c(C[N@@](C)C2CCCCC2)cc(Br)cc1Br)=O)CSSC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1c(cc(cc1Br)Br)C[N@@](C)C1CCCCC1)OCc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2817mg/kg (2817mg/kg)   Farmaco, Edizione Scientifica. Vol. 40, Pg. 108, 1985.
mouse LD50 oral > 2817mg/kg (2817mg/kg)   Farmaco, Edizione Scientifica. Vol. 40, Pg. 108, 1985.