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Substance Name: Phosphonic acid, (1,5-dimethyl-9-oxo-7-((propylamino)thioxomethyl)-3,7-diazabicyclo(3.3.1)non-3-yl)-, diphenyl ester
RN: 172881-97-9
InChIKey: HSSLGWNMJNIHHA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H32-N3-O4-P-S

Molecular Weight

  • 501.5848
 
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Names and Synonyms

  • Phosphonic acid, (1,5-dimethyl-9-oxo-7-((propylamino)thioxomethyl)-3,7-diazabicyclo(3.3.1)non-3-yl)-, diphenyl ester

Registry Numbers

CAS Registry Number

  • 172881-97-9

System Generated Number

  • 0172881979

Structure Descriptors

InChI

1S/C25H32N3O4PS/c1-4-15-26-23(34)27-16-24(2)18-28(19-25(3,17-27)22(24)29)33(30,31-20-11-7-5-8-12-20)32-21-13-9-6-10-14-21/h5-14H,4,15-19H2,1-3H3,(H,26,34)

InChIKey

HSSLGWNMJNIHHA-UHFFFAOYSA-N

Smiles

CCCNC(=S)N1CC2(CN(CC(C1)(C2=O)C)P(=O)(Oc3ccccc3)Oc4ccccc4)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 5gm/kg (5000mg/kg)   Pharmaceutical Chemistry Journal Vol. 29, Pg. 188, 1995.