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Substance Name: 2(3H)-Benzoxazolone, 3-((2-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-
RN: 99541-47-6
InChIKey: KYCHRQOPZZSHFA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N3-O5

Molecular Weight

  • 395.4129
 
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Names and Synonyms

Synonym

  • 3-((2-Methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-2(3H)-benzoxazolone

Systematic Name

  • 2(3H)-Benzoxazolone, 3-((2-methyl-1-piperidinyl)methyl)-6-(4-nitrobenzoyl)-

Registry Numbers

CAS Registry Number

  • 99541-47-6

System Generated Number

  • 0099541476

Structure Descriptors

InChI

1S/C21H21N3O5/c1-14-4-2-3-11-22(14)13-23-18-10-7-16(12-19(18)29-21(23)26)20(25)15-5-8-17(9-6-15)24(27)28/h5-10,12,14H,2-4,11,13H2,1H3

InChIKey

KYCHRQOPZZSHFA-UHFFFAOYSA-N

Smiles

CC1CCCCN1Cn2c3ccc(cc3oc2=O)C(=O)c4ccc(cc4)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 1gm/kg (1000mg/kg) MUSCULOSKELETAL: OTHER CHANGES Farmaco. Vol. 49, Pg. 663, 1994.