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Substance Name: Spirotrypan
RN: 120-76-3
InChIKey: NQTZUBGRRNXNNE-UHFFFAOYSA-N

Molecular Formula

  • C22-H26-As2-N2-O8-S

Molecular Weight

  • 628.3634
 
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Names and Synonyms

Name of Substance

  • Spirotrypan

Synonym

  • 3-((5-((3-(Bis(2,3-dihydroxypropyl)amino)-4-hydroxyphenyl)arseno)-2-benzoxazolyl)thio)propionic acid, monosodium salt

Systematic Name

  • Propanoic acid, 3-((5-((3-(bis(2,3-dihydroxypropyl)amino)-4-hydroxyphenyl)diarsenyl)-2-benzoxazolyl)thio)-

Registry Numbers

CAS Registry Number

  • 120-76-3

Related Registry Number

  • 2921-50-8 (mono-hydrochloride salt)

System Generated Number

  • 0000120763

Structure Descriptors

InChI

1S/C22H26As2N2O8S/c23-14-6-17-21(25-22(34-17)35-4-3-18(32)33)20(24)19(14)11-1-2-16(31)15(5-11)26(7-12(29)9-27)8-13(30)10-28/h1-2,5-6,12,27-29,31H,3-4,7-10,23-24H2,(H,32,33)

InChIKey

NQTZUBGRRNXNNE-UHFFFAOYSA-N

Smiles

c1cc(c(cc1c2c(cc3c(c2[AsH2])nc(o3)SCCC(=O)O)[AsH2])N(CC(CO)O)CC(=O)CO)O