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Substance Name: 2H-1,4-Benzothiazin-3(4H)-one, 8-(3-(tert-butylamino)-2-hydroxypropoxy)-, fumarate (2:1)
RN: 110226-06-7
InChIKey: IAHMRDNNIAWYFG-WXXKFALUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H22-N2-O3-S.1/2C4-H4-O4

Molecular Weight

  • 736.9032
 
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Names and Synonyms

Synonym

  • 8-(3-tert-Butylamino-2-hydroxy)propoxy-3,4-dihydro-3-oxo-2H(1,4)benzothiazine fumarate (2:1)

Systematic Name

  • 2H-1,4-Benzothiazin-3(4H)-one, 8-(3-(tert-butylamino)-2-hydroxypropoxy)-, fumarate (2:1)

Registry Numbers

CAS Registry Number

  • 110226-06-7

System Generated Number

  • 0110226067

Molecular Formulas

Molecular Formula

  • C15-H22-N2-O3-S.1/2C4-H4-O4

Molecular Formula Fragments

  • C15-H22-N2-O3-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C15H22N2O3S.C4H4O4/c2*1-15(2,3)16-7-10(18)8-20-12-6-4-5-11-14(12)21-9-13(19)17-11;5-3(6)1-2-4(7)8/h2*4-6,10,16,18H,7-9H2,1-3H3,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;;2-1+

InChIKey

IAHMRDNNIAWYFG-WXXKFALUSA-N

Smiles

CC(C)(C)NCC(COc1cccc2c1SCC(=O)N2)O.CC(C)(C)NCC(COc1cccc2c1SCC(=O)N2)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 48mg/kg (48mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 61, 1987.
mouse LD50 oral 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 61, 1987.
rat LD50 intravenous 65mg/kg (65mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 61, 1987.
rat LD50 oral > 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 61, 1987.