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Substance Name: 1,3,5,7,2,4,6,8-Tetrazatetraphosphocine, 2,2,4,4,6,6,8,8-octahydro-2,6-bis(1-aziridinyl)-2,4,4,6,8,8-hexakis(methylamino)-, cis-
RN: 96357-58-3
InChIKey: QGYHHJFMAISYHD-WMPKNSHKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C10-H32-N12-O4
  • C10-H32-N12-P4

Molecular Weight

  • 444.3428
 
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Names and Synonyms

Synonym

  • BRN 6493536

Systematic Names

  • 1,3,5,7,2,4,6,8-Tetrazatetraphosphocine, 2,2,4,4,6,6,8,8-octahydro-2,6-bis(1-aziridinyl)-2,4,4,6,8,8-hexakis(methylamino)-, cis-
  • 1,3,5,7,2,4,6,8-Tetrazatetraphosphocine, 2,6-bis(1-aziridinyl)-2,2,4,4,6,6,8,8-octahydro-2,4,4,6,8,8-hexakis(methylamino)-, cis-

Registry Numbers

CAS Registry Number

  • 96357-58-3

System Generated Number

  • 0096357583

Structure Descriptors

InChI

1S/C10H32N12P4/c1-11-23(12-2)17-25(15-5,21-7-8-21)19-24(13-3,14-4)20-26(16-6,18-23)22-9-10-22/h11-16H,7-10H2,1-6H3/t25-,26+

InChIKey

QGYHHJFMAISYHD-WMPKNSHKSA-N

Smiles

[P@]1(=NP(=N[P@](=NP(=N1)(NC)NC)(N1CC1)NC)(NC)NC)(N1CC1)NC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 1341, 1986.