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Substance Name: 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(4,8-disulfo-1-naphthyl)-4,4,6-trimethyl-
RN: 6281-68-1
InChIKey: ODRAWDDXGQPCHY-UHFFFAOYSA-N

Molecular Formula

  • C17-H18-N2-O6-S3

Molecular Weight

  • 442.535
 
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Names and Synonyms

Synonyms

  • 1-(4,8-Disulfo-1-naphthyl)-2-thio-4,4,6-trimethyl dihydropyrimidine
  • NSC 5837
  • USAF K-2602

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 4-(2-mercapto-4,4,6-trimethyl-1(4H)-pyrimidinyl)- (9CI)
  • 2(1H)-Pyrimidinethione, 3,4-dihydro-1-(4,8-disulfo-1-naphthyl)-4,4,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 6281-68-1

System Generated Number

  • 0006281681

Structure Descriptors

InChI

1S/C17H18N2O6S3/c1-10-9-17(2,3)18-16(26)19(10)12-7-8-13(27(20,21)22)11-5-4-6-14(15(11)12)28(23,24)25/h4-9H,1-3H3,(H,18,26)(H,20,21,22)(H,23,24,25)

InChIKey

ODRAWDDXGQPCHY-UHFFFAOYSA-N

Smiles

N1(C(NC(C=C1C)(C)C)=S)c1c2c(cccc2S(=O)(=O)O)c(S(=O)(=O)O)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   National Technical Information Service. Vol. AD277-689,