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Substance Name: MS 857
RN: 107189-96-8
InChIKey: NVTWQACIVZHUPA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N2-O2

Molecular Weight

  • 282.341
 
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Names and Synonyms

Name of Substance

  • MS 857

Synonyms

  • 4-Acetyl-1-methyl-7-(4-pyridyl)-5,6,7,8-tetrahydro-3(2H)-isoquinolinone
  • 5,6,7,8-Tetrahydro-4-acetyl-1-methyl-7-(4-pyridinyl)-3(2H)-isoquinolinone
  • BRN 6416236
  • MS 857

Systematic Names

  • 3(2H)-Isoquinoline, 4-acetyl-5,6,7,8-tetrahydro-1-methyl-7-(4-pyridinyl)-
  • 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-acetyl-1-methyl-7-(4-pyridinyl)-

Registry Numbers

CAS Registry Number

  • 107189-96-8

System Generated Number

  • 0107189968

Structure Descriptors

InChI

1S/C17H18N2O2/c1-10-15-9-13(12-5-7-18-8-6-12)3-4-14(15)16(11(2)20)17(21)19-10/h5-8,13H,3-4,9H2,1-2H3,(H,19,21)

InChIKey

NVTWQACIVZHUPA-UHFFFAOYSA-N

Smiles

c1([nH]c(c(c2CC[C@@H](Cc12)c1ccncc1)C(=O)C)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo unreported 200mg/kg (200mg/kg) CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Cardiovascular Drug Reviews. Vol. 10, Pg. 425, 1992.
mouse LD50 intravenous 171mg/kg (171mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: OTHER CHANGES
Cardiovascular Drug Reviews. Vol. 10, Pg. 425, 1992.
mouse LD50 oral 377mg/kg (377mg/kg) CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Cardiovascular Drug Reviews. Vol. 10, Pg. 425, 1992.
mouse LD50 subcutaneous > 2gm/kg (2000mg/kg) CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Cardiovascular Drug Reviews. Vol. 10, Pg. 425, 1992.
rat LD50 intravenous 136mg/kg (136mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: OTHER CHANGES
Cardiovascular Drug Reviews. Vol. 10, Pg. 425, 1992.
rat LD50 oral 147mg/kg (147mg/kg) CARDIAC: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Cardiovascular Drug Reviews. Vol. 10, Pg. 425, 1992.
rat LD50 subcutaneous > 2gm/kg (2000mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: OTHER CHANGES
Cardiovascular Drug Reviews. Vol. 10, Pg. 425, 1992.