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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-(phenylmethylamino)ethyl ester, P-oxide
RN: 145194-47-4
InChIKey: CSYVXRBBTJHQGE-UHFFFAOYSA-N

Molecular Formula

  • C28-H34-N3-O7-P

Molecular Weight

  • 555.5646
 
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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-(phenylmethylamino)ethyl ester, P-oxide

Registry Numbers

CAS Registry Number

  • 145194-47-4

System Generated Number

  • 0145194474

Structure Descriptors

InChI

1S/C28H34N3O7P/c1-19-24(27(32)36-14-13-29-16-21-9-6-5-7-10-21)25(22-11-8-12-23(15-22)31(33)34)26(20(2)30-19)39(35)37-17-28(3,4)18-38-39/h5-12,15,25,29-30H,13-14,16-18H2,1-4H3

InChIKey

CSYVXRBBTJHQGE-UHFFFAOYSA-N

Smiles

CC1=C(C(C(=C(N1)C)P2(=O)OCC(CO2)(C)C)c3cccc(c3)[N+](=O)[O-])C(=O)OCCNCc4ccccc4

Toxicity

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