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Substance Name: 2-Propanone, 3-chloro-1-(6,7-dimethoxy-1-isoquinolinyl)-1-(3,4-dimethoxyphenyl)-
RN: 66170-03-4
InChIKey: YHGYHRUDUWFLIS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H22-Cl-N-O5

Molecular Weight

  • 415.8708
 
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Names and Synonyms

Synonym

  • 3-Chloro-1-(6,7-dimethoxy-1-isoquinolinyl)-1-(3,4-dimethoxyphenyl)-2-propanone

Systematic Name

  • 2-Propanone, 3-chloro-1-(6,7-dimethoxy-1-isoquinolinyl)-1-(3,4-dimethoxyphenyl)-

Registry Numbers

CAS Registry Number

  • 66170-03-4

System Generated Number

  • 0066170034

Structure Descriptors

InChI

1S/C22H22ClNO5/c1-26-17-6-5-14(10-18(17)27-2)21(16(25)12-23)22-15-11-20(29-4)19(28-3)9-13(15)7-8-24-22/h5-11,21H,12H2,1-4H3

InChIKey

YHGYHRUDUWFLIS-UHFFFAOYSA-N

Smiles

COc1ccc(cc1OC)C(c2c3cc(c(cc3ccn2)OC)OC)C(=O)CCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg) CARDIAC: OTHER CHANGES

AUTONOMIC NERVOUS SYSTEM: "SMOOTH MUSCLE RELAXANT (MECHANISM UNDEFINED, SPASMOLYTIC)"
Doklady Akademii Nauk Tadzhikskoi SSR. Proceedings of the Academy of Sciences of the Tadzhik SSR. Vol. 20(11), Pg. 33, 1977.