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Substance Name: 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)-
RN: 115091-82-2
InChIKey: WPNORPMASGQMFS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H15-Cl-N2-O-S

Molecular Weight

  • 402.9035
 
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Names and Synonyms

Synonyms

  • 2-Amino-9-chloro-4-(1-naphthalenyl)-4H,5H-(1)benzothiopyrano(4,3-b)pyran-3-carbonitrile
  • BRN 4274042

Systematic Name

  • 4H,5H-(1)Benzothiopyrano(4,3-b)pyran-3-carbonitrile, 2-amino-9-chloro-4-(1-naphthalenyl)-

Registry Numbers

CAS Registry Number

  • 115091-82-2

System Generated Number

  • 0115091822

Structure Descriptors

InChI

1S/C23H15ClN2OS/c24-14-8-9-20-17(10-14)22-19(12-28-20)21(18(11-25)23(26)27-22)16-7-3-5-13-4-1-2-6-15(13)16/h1-10,21H,12,26H2

InChIKey

WPNORPMASGQMFS-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)cccc2C3C4=C(c5cc(ccc5SC4)Cl)OC(=C3C#N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 198mg/kg (198mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 221, 1991.