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Substance Name: 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-, 2-hydroxyethyl ester, P-oxide
RN: 145194-49-6
InChIKey: JXJPWXHQYJJLNA-UHFFFAOYSA-N

Molecular Formula

  • C21-H27-N2-O8-P

Molecular Weight

  • 466.4243
 
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Names and Synonyms

  • 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-(5,5-dimethyl-1,3,2-dioxaphosphorinan-2-yl)-4-(3-nitrophenyl)-, 2-hydroxyethyl ester, P-oxide

Registry Numbers

CAS Registry Number

  • 145194-49-6

System Generated Number

  • 0145194496

Structure Descriptors

InChI

1S/C21H27N2O8P/c1-13-17(20(25)29-9-8-24)18(15-6-5-7-16(10-15)23(26)27)19(14(2)22-13)32(28)30-11-21(3,4)12-31-32/h5-7,10,18,22,24H,8-9,11-12H2,1-4H3

InChIKey

JXJPWXHQYJJLNA-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)c3cccc(c3)[N+](=O)[O-])C(=O)OCCO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD intraperitoneal > 200mg/kg (200mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 19(Suppl,